N-(2-Cyanophenyl)piperazine → HCID 178482839, 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][cH:16][c:17]([Cl:20])[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].[N:34]1([c:40]2[c:41]([C:42]#[N:43])[cH:44][cH:45][cH:46][cH:47]2)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[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:37]3[CH2:36][CH2:35][N:34]([c:40]4[c:41]([C:42]#[N:43])[cH:44][cH:45][cH:46][cH:47]4)[CH2:39][CH2:38]3)[N:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([Cl:20])[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-d7935c482e5945148e685c614572385c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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