Water → HCID 22750091, compound
Reaction equation
[CH2:1]([O:2][c:4]1[n:5][cH:6][c:7]2[c:8]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[n:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][cH:17][c:18]1[c:19]2=[O:20])[CH3:3].[CH2:25]([CH3:26])[N:27]([CH2:28][CH2:29][NH2:30])[CH2:31][CH3:32].[OH2:24]>>[c:4]1([NH:30][CH2:29][CH2:28][N:27]([CH2:25][CH3:26])[CH2:31][CH3:32])[n:5][cH:6][c:7]2[c:8]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[n:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][cH:17][c:18]1[c:19]2=[O:20]Participants
4
Sources & evidence
- ORD record
- ord-5ae058a5bfcc46c1a60fd5ed0138296a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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