Acetate → 5-(2-ethylsulfonylethenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

HRID 1134976Notes

Reaction equation

HRID 1134976 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][CH:12]3[N:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:63][C:64]#[N:65].[CH:18](=[CH2:19])[S:20](=[O:21])(=[O:22])[CH2:23][CH3:24].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[Pd+2:54].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[c:2]1([CH:19]=[CH:18][S:20](=[O:21])(=[O:22])[CH2:23][CH3:24])[cH:3][c:4]2[c:5]([CH2:11][CH:12]3[N:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 74680(Ethylsulfonyl)etheneHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 155215625-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole

Product 1

HCID 761300525-(2-ethylsulfonylethenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

Sources & evidence

ORD record
ord-104b1dd9ec614d36b72a319071f6b778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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