Bicarbonate Ion → [4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-acetonitrile
Reaction equation
[C-:36]#[N:37].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:8][c:9]1[CH2:10][Cl:11].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][C:34]#[N:35].[Na+:26].[O-:22][C:23]([OH:24])=[O:25]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:8][c:9]1[CH2:10][C:34]#[N:35]Participants
8
Sources & evidence
- ORD record
- ord-7875afc5836f498abc894341ec7074cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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