Hydrochloric Acid → 1-(3,4-Dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexane
Reaction equation
[BH4-:39].[C:1]([O:2][CH:5]([CH:6]([CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N+:18](=[O:19])[O-:20])[CH2:21][CH2:22][C:23]([c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1)([CH:34]([CH3:35])[CH3:36])[C:37]#[N:38])(=[O:3])[CH3:4].[CH:43]([OH:44])([CH3:45])[CH3:46].[ClH:41].[Na+:40].[OH2:42]>>[CH2:5]([CH:6]([CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N+:18](=[O:19])[O-:20])[CH2:21][CH2:22][C:23]([c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1)([CH:34]([CH3:35])[CH3:36])[C:37]#[N:38]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-ff4160a7a5c44c14884550962d5e757a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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