Acetic Acid → 5-Chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfinylacetyl]amino]benzoic acid
Reaction equation
[CH3:1][C:2]([OH:3])=[O:4].[Cl:13][c:14]1[cH:15][cH:16][c:17]([NH:23][C:24]([CH2:25][S:26][CH2:27][C:28](=[O:29])[NH:30][c:31]2[cH:32][c:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[cH:34][cH:35][cH:36]2)=[O:44])[c:18]([C:19](=[O:20])[OH:21])[cH:22]1.[Na:12].[OH2:45].[OH:10][OH:11].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9]>>[O:3]=[S:26]([CH2:25][C:24]([NH:23][c:17]1[cH:16][cH:15][c:14]([Cl:13])[cH:22][c:18]1[C:19](=[O:20])[OH:21])=[O:44])[CH2:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][c:33](-[c:37]2[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]2)[cH:34][cH:35][cH:36]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-34f328f731694ac2a5a3e99f0b4b185c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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