1-(3-(Trifluoromethyl)phenyl)piperazine → HCID 178482841, compound
Reaction equation
[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([C:21](=[O:22])[OH:23])[N:11]([CH2:13][c:14]3[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]3)[CH2:12]2)[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[F:34][C:35]([c:36]1[cH:37][c:38]([N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[cH:39][cH:40][cH:41]1)([F:48])[F:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([C:21](=[O:23])[N:45]3[CH2:44][CH2:43][N:42]([c:38]4[cH:37][c:36]([C:35]([F:34])([F:48])[F:49])[cH:41][cH:40][cH:39]4)[CH2:47][CH2:46]3)[N:11]([CH2:13][c:14]3[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]3)[CH2:12]2)[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]Participants
3
Sources & evidence
- ORD record
- ord-517d71679a5641589ae8ced529b82bad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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