Hydrochloric Acid → 3-((4-(4-Amino-2-fluorobenzoyl)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[CH2:15][CH2:16][N:17]([C:20]([c:21]3[c:22]([F:30])[cH:23][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:32].[CH3:34][CH:35]([OH:36])[CH3:37].[ClH:33].[Fe:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:20]([c:21]3[c:22]([F:30])[cH:23][c:24]([NH2:27])[cH:25][cH:26]3)=[O:31])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:32]Participants
5
Sources & evidence
- ORD record
- ord-758b29e40ab04f95abd73f910abb17d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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