1-Butanol → 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[1-(4-fluorophenyl)ethylamino]-2-nitrobenzonitrile
Reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([N+:19](=[O:20])[O-:21])[c:12]([C:13]#[N:14])[cH:15][c:16]([F:18])[cH:17]3)[n:7][nH:8]2)[CH2:2][CH2:3]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][cH:28]1>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([N+:19](=[O:20])[O-:21])[c:12]([C:13]#[N:14])[cH:15][c:16]([NH:31][CH:29]([c:26]4[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]4)[CH3:30])[cH:17]3)[n:7][nH:8]2)[CH2:2][CH2:3]1Participants
5
Sources & evidence
- ORD record
- ord-0127511f814444579e32b0fbe60fbb26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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