Water → HCID 56645465, compound
Reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:38][N:39]([CH3:40])[C:41](=[O:42])[CH3:43].[Cl:19][c:20]1[n:21][c:22]([CH3:29])[cH:23][cH:24][c:25]1[N+:26](=[O:27])[O-:28].[OH2:37].[c:1]1([C:7]#[C:8][C:9]2=[N:10][O:11][C:12]3([CH2:13]2)[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]#[C:8][C:9]2=[N:10][O:11][C:12]3([CH2:13]2)[CH2:14][CH2:15][N:16]([c:20]2[n:21][c:22]([CH3:29])[cH:23][cH:24][c:25]2[N+:26](=[O:27])[O-:28])[CH2:17][CH2:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-bb451dc56fca4dd18c901fddda4678f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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