Water → 3-cyclopropyl-3-(4-{5-methoxy-2-[(3-nitrophenyl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:49][C:50]#[N:51].[Cl:1][c:2]1[n:3][cH:4][c:5]([O:20][CH3:21])[c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19]3)[cH:12]2)[n:7]1.[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][c:27]([NH2:28])[cH:29][cH:30][cH:31]1.[OH2:52].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[c:2]1([NH:28][c:27]2[cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:31][cH:30][cH:29]2)[n:3][cH:4][c:5]([O:20][CH3:21])[c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19]3)[cH:12]2)[n:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-989e72d3ad0a4d29932d516b126bbb62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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