Bicarbonate Ion → 3-(4-Nitro-3-propylaminomethyl-phenoxy)-benzonitrile
Reaction equation
[CH3:21][CH2:22][CH2:23][NH2:24].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20].[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[CH2:1]([c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20])[NH:24][CH2:23][CH2:22][CH3:21]Participants
5
Sources & evidence
- ORD record
- ord-1f26d48df2014be493e3e1eda0cbf38c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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