base
stringclasses
3 values
ligand
stringclasses
4 values
additive
stringclasses
23 values
aryl_halide
stringclasses
15 values
yield
float64
0
100
P2Et
XPhos
5-phenylisoxazole
1-chloro-4-(trifluoromethyl)benzene
10.657812
P2Et
XPhos
5-phenylisoxazole
1-bromo-4-(trifluoromethyl)benzene
14.747896
P2Et
XPhos
5-phenylisoxazole
1-iodo-4-(trifluoromethyl)benzene
18.278686
P2Et
XPhos
5-phenylisoxazole
1-chloro-4-methoxybenzene
2.475058
P2Et
XPhos
5-phenylisoxazole
1-bromo-4-methoxybenzene
6.119058
P2Et
XPhos
5-phenylisoxazole
1-iodo-4-methoxybenzene
5.449924
P2Et
XPhos
5-phenylisoxazole
1-chloro-4-ethylbenzene
7.80208
P2Et
XPhos
5-phenylisoxazole
1-bromo-4-ethylbenzene
14.234178
P2Et
XPhos
5-phenylisoxazole
1-ethyl-4-iodobenzene
15.413893
P2Et
XPhos
5-phenylisoxazole
2-chloropyridine
9.465696
P2Et
XPhos
5-phenylisoxazole
2-bromopyridine
15.238758
P2Et
XPhos
5-phenylisoxazole
2-iodopyridine
19.594289
P2Et
XPhos
5-phenylisoxazole
3-chloropyridine
7.787908
P2Et
XPhos
5-phenylisoxazole
3-bromopyridine
9.677592
P2Et
XPhos
5-phenylisoxazole
3-iodopyridine
13.175217
BTMG
XPhos
5-phenylisoxazole
1-chloro-4-(trifluoromethyl)benzene
14.018641
BTMG
XPhos
5-phenylisoxazole
1-bromo-4-(trifluoromethyl)benzene
30.591262
BTMG
XPhos
5-phenylisoxazole
1-iodo-4-(trifluoromethyl)benzene
38.155736
BTMG
XPhos
5-phenylisoxazole
1-chloro-4-methoxybenzene
0.456472
BTMG
XPhos
5-phenylisoxazole
1-bromo-4-methoxybenzene
3.867386
BTMG
XPhos
5-phenylisoxazole
1-iodo-4-methoxybenzene
7.024622
BTMG
XPhos
5-phenylisoxazole
1-chloro-4-ethylbenzene
2.846164
BTMG
XPhos
5-phenylisoxazole
1-bromo-4-ethylbenzene
18.869009
BTMG
XPhos
5-phenylisoxazole
1-ethyl-4-iodobenzene
25.073659
BTMG
XPhos
5-phenylisoxazole
2-chloropyridine
21.666586
BTMG
XPhos
5-phenylisoxazole
2-bromopyridine
48.487494
BTMG
XPhos
5-phenylisoxazole
2-iodopyridine
58.610757
BTMG
XPhos
5-phenylisoxazole
3-chloropyridine
4.169293
BTMG
XPhos
5-phenylisoxazole
3-bromopyridine
11.383346
BTMG
XPhos
5-phenylisoxazole
3-iodopyridine
24.418182
MTBD
XPhos
5-phenylisoxazole
1-chloro-4-(trifluoromethyl)benzene
14.967396
MTBD
XPhos
5-phenylisoxazole
1-bromo-4-(trifluoromethyl)benzene
30.286255
MTBD
XPhos
5-phenylisoxazole
1-iodo-4-(trifluoromethyl)benzene
39.577839
MTBD
XPhos
5-phenylisoxazole
1-chloro-4-methoxybenzene
0.339837
MTBD
XPhos
5-phenylisoxazole
1-bromo-4-methoxybenzene
3.123062
MTBD
XPhos
5-phenylisoxazole
1-iodo-4-methoxybenzene
5.14011
MTBD
XPhos
5-phenylisoxazole
1-chloro-4-ethylbenzene
3.920306
MTBD
XPhos
5-phenylisoxazole
1-bromo-4-ethylbenzene
15.39753
MTBD
XPhos
5-phenylisoxazole
1-ethyl-4-iodobenzene
22.450649
MTBD
XPhos
5-phenylisoxazole
2-chloropyridine
23.686174
MTBD
XPhos
5-phenylisoxazole
2-bromopyridine
42.694859
MTBD
XPhos
5-phenylisoxazole
2-iodopyridine
54.833609
MTBD
XPhos
5-phenylisoxazole
3-chloropyridine
6.351542
MTBD
XPhos
5-phenylisoxazole
3-bromopyridine
14.164722
MTBD
XPhos
5-phenylisoxazole
3-iodopyridine
17.378304
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-(trifluoromethyl)benzene
3.606677
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-(trifluoromethyl)benzene
35.078662
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-(trifluoromethyl)benzene
43.318146
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-methoxybenzene
0
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-methoxybenzene
29.298178
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-methoxybenzene
37.565356
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-ethylbenzene
0.96081
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-ethylbenzene
59.019681
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-ethyl-4-iodobenzene
70.96873
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-chloropyridine
35.139527
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-bromopyridine
37.654458
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-iodopyridine
51.10249
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-chloropyridine
3.96345
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-bromopyridine
31.93031
P2Et
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-iodopyridine
48.708232
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-(trifluoromethyl)benzene
5.008761
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-(trifluoromethyl)benzene
35.088724
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-(trifluoromethyl)benzene
41.245607
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-methoxybenzene
0
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-methoxybenzene
13.976947
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-methoxybenzene
18.895249
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-ethylbenzene
0.705195
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-ethylbenzene
32.632341
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-ethyl-4-iodobenzene
31.818372
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-chloropyridine
30.425439
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-bromopyridine
53.63578
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-iodopyridine
59.476744
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-chloropyridine
2.014672
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-bromopyridine
26.513526
BTMG
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-iodopyridine
36.850379
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-(trifluoromethyl)benzene
4.820162
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-(trifluoromethyl)benzene
34.806286
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-(trifluoromethyl)benzene
46.632498
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-methoxybenzene
0
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-methoxybenzene
11.742185
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-iodo-4-methoxybenzene
26.651894
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-chloro-4-ethylbenzene
0.54683
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-bromo-4-ethylbenzene
35.870556
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
1-ethyl-4-iodobenzene
68.844495
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-chloropyridine
33.875422
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-bromopyridine
63.069719
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
2-iodopyridine
70.629892
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-chloropyridine
2.481416
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-bromopyridine
31.678005
MTBD
XPhos
ethyl-3-methylisoxazole-5-carboxylate
3-iodopyridine
46.0142
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-chloro-4-(trifluoromethyl)benzene
22.166448
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-bromo-4-(trifluoromethyl)benzene
23.211569
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-iodo-4-(trifluoromethyl)benzene
34.748764
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-chloro-4-methoxybenzene
0.948129
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-bromo-4-methoxybenzene
16.649665
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-iodo-4-methoxybenzene
19.999826
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-chloro-4-ethylbenzene
4.992379
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-bromo-4-ethylbenzene
53.996993
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
1-ethyl-4-iodobenzene
57.37549
P2Et
XPhos
ethyl-5-methylisoxazole-3-carboxylate
2-chloropyridine
22.611658

This is the full data set for the aryl halide benchmark.

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