Hydrochloric Acid → 3-((4-(4-Amino-3-fluorobenzoyl)-2-(fluoromethyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH:15]([CH2:32][F:33])[CH2:16][N:17]([C:20]([c:21]3[cH:22][c:23]([F:30])[c:24]([N+:27]([O-:28])=[O:29])[cH:25][cH:26]3)=[O:31])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:34].[CH:36]([OH:37])([CH3:38])[CH3:39].[ClH:35].[Fe:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH:15]([CH2:32][F:33])[CH2:16][N:17]([C:20]([c:21]3[cH:22][c:23]([F:30])[c:24]([NH2:27])[cH:25][cH:26]3)=[O:31])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:34]Participants
5
Sources & evidence
- ORD record
- ord-39e1146fb2424ac2b33ea1ffe3327c2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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