Acetate → 3-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester

HRID 1567820Notes

Reaction equation

HRID 1567820 reaction equation
[C:20]([CH:21]=[CH:22][CH3:23])(=[O:24])[O:25][CH3:26].[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[I-:34].[I:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[Pd+2:44]>>[c:2]1([C:22](=[CH:21][C:20](=[O:24])[O:25][CH3:26])[CH3:23])[cH:3][c:4]2[cH:5][cH:6][n:7]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 12181Methyl but-2-enoateHCID 30165Iodide IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 179527921-benzenesulfonyl-5-iodo-1H-indole

Product 1

HCID 692189243-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester

Sources & evidence

ORD record
ord-abf26593c160403ebfa9b93d6746037c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…