Water → 5-[5-(2-Ethyl-3-formylphenyl)-1,3-thiazol-2-yl]-2-(2-methylpropyl)benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([CH2:15][CH:16]([CH3:17])[CH3:18])[c:11]([C:12]#[N:13])[cH:14]2)[s:6]1.[C:38](=[O:39])([O-:40])[O-:41].[CH2:19]([CH3:20])[c:21]1[c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27][c:28]1[B:29]1[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cs+:42].[Cs+:43].[OH2:50]>>[c:2]1(-[c:28]2[c:21]([CH2:19][CH3:20])[c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27]2)[cH:3][n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([CH2:15][CH:16]([CH3:17])[CH3:18])[c:11]([C:12]#[N:13])[cH:14]2)[s:6]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-83d1dbd79fcd4147bf020ad3ff855a5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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