Acetone → 2-(2-(Phenylsulfonyl)ethylthio)-6-(trifluoromethyl)quinoline-3-carboxylic acid
Reaction equation
[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][C:47](=[O:48])[CH3:49].[Cl:19][c:20]1[n:21][c:22]2[cH:23][cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]2[cH:28][c:29]1[C:30](=[O:31])[OH:32].[Cl:37][CH2:38][Cl:39].[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[c:7]1([S:13](=[O:14])(=[O:15])[CH2:16][CH2:17][SH:18])[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1([S:13](=[O:14])(=[O:15])[CH2:16][CH2:17][S:18][c:20]2[n:21][c:22]3[cH:23][cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]3[cH:28][c:29]2[C:30](=[O:31])[OH:32])[cH:8][cH:9][cH:10][cH:11][cH:12]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-ab6fe983dfd64d049944245aa6ac77f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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