Chloride → 2-Amino-5-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]cinnamic acid
Reaction equation
[CH3:37][OH:38].[Cl-:33].[ClH:36].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([C:21]([c:22]3[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]3)=[O:32])[CH2:19][CH2:20]2)[cH:13][cH:14]1.[Na+:35].[OH-:34]>>[NH2:1][c:4]1[c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([C:21]([c:22]3[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]3)=[O:32])[CH2:19][CH2:20]2)[cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-04beafed2f384a38aeddfcaf13328173
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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