Hydrochloric Acid → 2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-6-nitro-1H-benzo[de]isoquinolin-1,3(2H)-dione
Reaction equation
[CH2:25]([CH3:26])[N:27]([c:28]1[cH:29][cH:30][c:31]([NH2:34])[cH:32][cH:33]1)[CH2:35][CH2:36][OH:37].[ClH:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:14](=[O:15])[O:16][C:17]2=[O:18].[OH2:19].[S:20]([OH:21])([OH:22])(=[O:23])=[O:24].[nH:39]1[cH:40][cH:41][n:42][cH:43]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:14](=[O:16])[N:34]([c:31]1[cH:30][cH:29][c:28]([N:27]([CH2:25][CH3:26])[CH2:35][CH2:36][OH:37])[cH:33][cH:32]1)[C:17]2=[O:18]Participants
7
Sources & evidence
- ORD record
- ord-d2fc9d7b636042ffab55f8ec472df774
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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