Dimethyl Sulfoxide → 5-Isopropyl-2-(2-nitro-phenylamino)-benzonitrile
Reaction equation
[CH3:25][S:26]([CH3:27])=[O:28].[F:13][c:14]1[c:15]([N+:20](=[O:21])[O-:22])[cH:16][cH:17][cH:18][cH:19]1.[Li+:23].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1.[OH-:24].[OH2:29]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1)[c:14]1[c:15]([N+:20](=[O:21])[O-:22])[cH:16][cH:17][cH:18][cH:19]1Participants
7
Sources & evidence
- ORD record
- ord-3f1abab03dbc44ddbca84afba1bd6553
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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