Acetate → 3-Chloro-N,N-dimethyl-4-(2-nitrobut-1-en-1-yl)aniline
Reaction equation
[CH2:25]([OH:26])[CH2:27][CH3:28].[CH3:20][C:21](=[O:22])[O-:23].[Cl:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([N:10]([CH3:11])[CH3:12])[cH:9]1.[N+:13](=[O:14])([O-:15])[CH2:16][CH2:17][CH3:18].[NH4+:19].[OH2:24]>>[Cl:1][c:2]1[c:3]([CH:4]=[C:16]([N+:13](=[O:14])[O-:15])[CH2:17][CH3:18])[cH:6][cH:7][c:8]([N:10]([CH3:11])[CH3:12])[cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-5aebe7423e2648a39e138d4dc18dbf71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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