Toluene → 5-chloro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3-methylbenzo[b]thiophene-2-sulfonamide

HRID 2349664Notes

Reaction equation

HRID 2349664 reaction equation
[CH2:31]([Al+:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]3[c:15]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]3)[c:8]2[CH3:9])[cH:28][cH:29]1.[H-:30]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]3[c:15]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:16][c:17]([CH2:18][OH:19])[cH:22][cH:23]3)[c:8]2[CH3:9])[cH:28][cH:29]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 166653HydrideHCID 101624624-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-benzoic acid methyl esterHCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 220414675-chloro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3-methylbenzo[b]thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-4c5b1d8570064d6cace8d825aaa92493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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