Acetate → 5-Amino-1-(4-nitrophenyl)-4-(4-sulfophenylazo)pyrazole
Reaction equation
[CH3:13][C:14](=[O:15])[O-:16].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH:41]([OH:42])([CH3:43])[CH3:44].[ClH:39].[NH2:17][c:18]1[cH:19][cH:20][n:21][n:22]1-[c:23]1[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]1.[Na+:12].[OH2:40].[S:1](=[O:2])([c:3]1[cH:4][cH:5][c:6]([NH2:9])[cH:7][cH:8]1)(=[O:10])[OH:11]>>[S:1](=[O:2])([c:3]1[cH:4][cH:5][c:6]([N:9]=[N:34][c:19]2[c:18]([NH2:17])[n:22](-[c:23]3[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]3)[n:21][cH:20]2)[cH:7][cH:8]1)(=[O:10])[OH:11]Participants
9
Sources & evidence
- ORD record
- ord-5e78f77563404c0ebe7e97cbed381dd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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