Acetone → (2,6-Dimethyl-4-[2-(2-methylphenyl)acetamido]phenylthio)nitromethane
Reaction equation
[BH4-:1].[CH3:31][CH2:32][OH:33].[CH3:49][C:50](=[O:51])[CH3:52].[CH3:6][c:7]1[c:8]([SH:25])[c:9]([CH3:24])[cH:10][c:11]([NH:13][C:14]([CH2:15][c:16]2[c:17]([CH3:22])[cH:18][cH:19][cH:20][cH:21]2)=[O:23])[cH:12]1.[ClH:26].[K:35].[N+:27](=[O:28])([O-:29])[CH3:30].[N:36]#[C:37][Fe-3:38]([C:39]#[N:40])([C:41]#[N:42])([C:43]#[N:44])([C:45]#[N:46])[C:47]#[N:48].[Na+:2].[OH2:34].[S-:3][C:4]#[N:5]>>[CH3:6][c:7]1[c:8]([S:25][CH2:30][N+:27](=[O:28])[O-:29])[c:9]([CH3:24])[cH:10][c:11]([NH:13][C:14]([CH2:15][c:16]2[c:17]([CH3:22])[cH:18][cH:19][cH:20][cH:21]2)=[O:23])[cH:12]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-5ccf4aa0b0a94820b386eca833491714
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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