Mercaptoethanesulfonic acid → 5-Chloro-2-[3-(2-sulfo-ethylsulfanylmethyl)-benzoylamino]-benzoic acid methyl ester

HRID 306410

Reaction equation

HRID 306410 reaction equation
[CH2:38]([Cl:39])[Cl:40].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:12][C:13]([c:14]2[cH:15][c:16]([CH2:20][Cl:21])[cH:17][cH:18][cH:19]2)=[O:22])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[Na:30].[SH:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[OH:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:12][C:13]([c:14]2[cH:15][c:16]([CH2:20][S:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[OH:37])[cH:17][cH:18][cH:19]2)=[O:22])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

6

Reactant 5

HCID 598Mercaptoethanesulfonic acidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 5360545SodiumHCID 231072215-Chloro-2-(3-chloromethyl-benzoylamino)-benzoic acid methyl ester

Product 1

HCID 870861295-Chloro-2-[3-(2-sulfo-ethylsulfanylmethyl)-benzoylamino]-benzoic acid methyl ester

Sources & evidence

ORD record
ord-8550d929c0d144d8b5ded9b27608a1ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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