N-(2-Cyanophenyl)piperazine → 2-[4-[1-[(3-chlorophenyl)methyl]-4-[(2,4-difluorophenyl)methyl-methylamino]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
Reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH:7]([C:22](=[O:23])[OH:24])[CH2:8][CH:9]([N:11]([CH3:12])[CH2:13][c:14]3[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:10]2)[cH:25][cH:26][cH:27]1.[N:28]1([c:34]2[c:35]([C:36]#[N:37])[cH:38][cH:39][cH:40][cH:41]2)[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH:7]([C:22](=[O:24])[N:31]3[CH2:30][CH2:29][N:28]([c:34]4[c:35]([C:36]#[N:37])[cH:38][cH:39][cH:40][cH:41]4)[CH2:33][CH2:32]3)[CH2:8][CH:9]([N:11]([CH3:12])[CH2:13][c:14]3[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:10]2)[cH:25][cH:26][cH:27]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-abf4647e2b6d48f887a493f0c97660c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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