Hydrochloric Acid → 3-Oxo-2-(4-tert-butylphenyl)-3-(1,3,4-trimethylpyrazol-5-yl)propionitrile
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12]#[N:13])[cH:9][cH:10]1.[CH2:14]([O:16][C:17](=[O:15])[c:19]1[c:20]([CH3:26])[c:21]([CH3:25])[n:22][n:23]1[CH3:24])[CH3:18].[CH2:27]([O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][OH:34])[CH3:35].[CH3:36][OH:37].[CH3:38][O-:39].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[ClH:41].[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]#[N:13])[C:17](=[O:16])[c:19]2[c:20]([CH3:26])[c:21]([CH3:25])[n:22][n:23]2[CH3:24])[cH:9][cH:10]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-852e562cf367414c8dce612077ce6afa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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