Ammonium → 4-(2-Aminomethyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)amide
Reaction equation
[CH3:34][CH2:35][OH:36].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31].[NH4+:33].[OH-:32].[OH2:37]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([CH2:28][NH2:29])[cH:24][cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]Participants
6
Sources & evidence
- ORD record
- ord-86c208f9e3bf401781f390fc67563ff0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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