Water → N-(3-Cyano-4-neopentyloxyphenyl)-1-phenyl-3-methylpyrazole-4-carboxamide
Reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[NH2:16][c:17]1[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[c:21]([C:22]#[N:23])[cH:24]1.[OH2:48].[P:38]([C:39]#[N:40])([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47].[c:1]1(-[n:7]2[n:8][c:9]([CH3:15])[c:10]([C:12](=[O:13])[OH:14])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][c:9]([CH3:15])[c:10]([C:12](=[O:14])[NH:16][c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[c:21]([C:22]#[N:23])[cH:24]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-27b0b06325c34385b68cd91e94313004
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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