Bromide ion → HCID 178458560, compound
Reaction equation
[Br-:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([SH:13])[c:9]([Cl:12])[c:10]1=[O:11].[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:22][CH:23]([CH3:24])[CH3:25])[n:20][cH:21]1.[Na+:27].[OH-:26].[OH2:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([SH:13]([c:16]2[cH:17][cH:18][c:19]([O:22][CH:23]([CH3:24])[CH3:25])[n:20][cH:21]2)[CH3:29])[c:9]([Cl:12])[c:10]1=[O:11]Participants
9
Sources & evidence
- ORD record
- ord-59e83f89160b4df18b30b02b698ac0a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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