Water → 5-{[1-(2-Chloro-3-fluoro-4-methoxyphenyl)-2-([ethylsulfanyl]methyl)-3,3,3-trifluoro-2-hydroxypropyl]amino}-7-fluoro-1H-quinolin-2-one
Reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]([CH3:39])[SH:40].[Cl:1][c:2]1[c:3]([CH:11]([C:12]2([C:15]([F:16])([F:17])[F:18])[O:13][CH2:14]2)[NH:19][c:20]2[c:21]3[cH:22][cH:23][c:24](=[O:31])[nH:25][c:26]3[cH:27][c:28]([F:30])[cH:29]2)[cH:4][cH:5][c:6]([O:9][CH3:10])[c:7]1[F:8].[Cs+:36].[Cs+:37].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:41]>>[Cl:1][c:2]1[c:3]([CH:11]([C:12]([OH:13])([CH2:14][S:40][CH2:38][CH3:39])[C:15]([F:16])([F:17])[F:18])[NH:19][c:20]2[c:21]3[cH:22][cH:23][c:24](=[O:31])[nH:25][c:26]3[cH:27][c:28]([F:30])[cH:29]2)[cH:4][cH:5][c:6]([O:9][CH3:10])[c:7]1[F:8]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-0466ec97b9f04e8eaf39ae6993305f21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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