Ethanol → 2-{4-[2-(3,4-Dichloro-phenyl)-ethyl]phenylamino}-5-nitrobenzoic acid
Reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]2)[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1)=[O:30].[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[O:2]=[C:3]([c:4]1[c:5]([NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]2)[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1)[OH:30]Participants
6
Sources & evidence
- ORD record
- ord-bd1ef86b73bc44a99c54a839b0f1d0d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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