Ammonium → HCID 18931068, compound
Reaction equation
[Cl-:45].[H-:34].[NH2:1][c:2]1[n:3][c:4](-[c:28]2[n:29][cH:30][cH:31][cH:32][n:33]2)[n:5][c:6]([O:17][CH2:18][CH2:19][O:20][c:21]2[n:22][cH:23][c:24]([Br:27])[cH:25][n:26]2)[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1.[NH4+:46].[Na+:35].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[s:36]1[c:37]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:38][cH:39][cH:40]1>>[NH:1]([c:2]1[n:3][c:4](-[c:28]2[n:29][cH:30][cH:31][cH:32][n:33]2)[n:5][c:6]([O:17][CH2:18][CH2:19][O:20][c:21]2[n:22][cH:23][c:24]([Br:27])[cH:25][n:26]2)[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1)[S:41]([c:37]1[s:36][cH:40][cH:39][cH:38]1)(=[O:42])=[O:43]Participants
8
Sources & evidence
- ORD record
- ord-29b54a9b61f04449b56952ac88187efc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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