Acetic Acid → 3-Methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)-3-oxopent-1-en-1-yl]benzonitrile
Reaction equation
[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:13][c:14]1[n:15][c:16]([CH2:19][C:20]([CH2:21][CH3:22])=[O:23])[s:17][cH:18]1.[CH3:30][C:31](=[O:32])[OH:33].[CH:1](=[O:2])[c:3]1[c:4]([O:11][CH3:12])[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1.[Cl:34][CH2:35][Cl:36]>>[CH:1]([c:3]1[c:4]([O:11][CH3:12])[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1)=[C:19]([c:16]1[n:15][c:14]([CH3:13])[cH:18][s:17]1)[C:20]([CH2:21][CH3:22])=[O:23]Participants
6
Sources & evidence
- ORD record
- ord-fdba1ccb67c4449397c6497e048667a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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