Dimethyl Sulfoxide → 5-(4-Tert-butoxycarbonyl-2-methylpiperazin-1-yl)-4-cyano-2-nitroaniline
Reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH:23]([CH3:27])[NH:24][CH2:25][CH2:26]1.[C:1](#[N:2])[c:3]1[c:4]([F:13])[cH:5][c:6]([NH2:7])[c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[CH3:30][S:31]([CH3:32])=[O:33].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Na+:29].[OH-:28]>>[C:1](#[N:2])[c:3]1[c:4]([N:24]2[CH:23]([CH3:27])[CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:26][CH2:25]2)[cH:5][c:6]([NH2:7])[c:8]([N+:10](=[O:11])[O-:12])[cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-e4043924c6ae46668d875a1bf8968a3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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