Acetic Acid → 3-Amino-5-chloro-3-(2-chlorophenyl)-1-[2-(ethylamino)-4-methoxybenzenesulfonyl]-1,3-dihydroindol-2-one

HRID 2139784Notes

Reaction equation

HRID 2139784 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[C:48]([OH:49])(=[O:50])[CH3:51].[C:4]([BH3-:5])#[N:6].[CH3:46][OH:47].[CH:1]([CH3:2])=[O:3].[ClH:39].[K+:44].[K+:45].[NH2:8][C:9]1([c:32]2[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]2)[C:10](=[O:31])[N:11]([S:19](=[O:20])(=[O:21])[c:22]2[c:23]([NH2:30])[cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][c:17]21.[Na+:7]>>[CH2:1]([CH3:2])[NH:30][c:23]1[c:22]([S:19]([N:11]2[C:10](=[O:31])[C:9]([NH2:8])([c:32]3[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]3)[c:17]3[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16]3)(=[O:20])=[O:21])[cH:27][cH:26][c:25]([O:28][CH3:29])[cH:24]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 190764183-Amino-1-(2-amino-4-methoxybenzenesulfonyl)-5-chloro-3-(2-chlorophenyl)-1,3-dihydroindol-2-one

Product 1

HCID 190764703-Amino-5-chloro-3-(2-chlorophenyl)-1-[2-(ethylamino)-4-methoxybenzenesulfonyl]-1,3-dihydroindol-2-one

Sources & evidence

ORD record
ord-735f0eceec794c7faf9a68fdae4c8985
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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