Water → HCID 15516568, compound
Reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](-[c:16]2[n:17][c:18]([CH2:21][NH:22][CH3:23])[s:19][cH:20]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:43][CH2:44][Cl:45].[N+:31](=[O:32])([O-:33])[c:34]1[cH:35][cH:36][c:37]([CH2:38][Br:39])[cH:40][cH:41]1.[OH2:42]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](-[c:16]2[n:17][c:18]([CH2:21][N:22]([CH3:23])[CH2:38][c:37]3[cH:36][cH:35][c:34]([N+:31](=[O:32])[O-:33])[cH:41][cH:40]3)[s:19][cH:20]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
6
Sources & evidence
- ORD record
- ord-d5ebbd91aa344d97b84a7998a64ea700
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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