Acetate → 2-amino-3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[1-(4-fluorophenyl)ethylamino]benzonitrile
Reaction equation
[CH3:35][C:36](=[O:37])[O-:38].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([N+:28]([O-:29])=[O:30])[c:12]([C:13]#[N:14])[cH:15][c:16]([NH:18][CH:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[cH:17]3)[n:7][nH:8]2)[CH2:2][CH2:3]1.[Cl-:31].[NH4+:32].[NH4+:34].[Zn:33]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([NH2:28])[c:12]([C:13]#[N:14])[cH:15][c:16]([NH:18][CH:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[cH:17]3)[n:7][nH:8]2)[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-5395cb3934794b329629a47cda0d996e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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