Ethanol → HCID 85898859, compound
Reaction equation
[CH3:35][CH2:36][OH:37].[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]([CH3:33])[c:18]([CH3:32])[n:19][c:20]([O:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:21]1[N+:22]([O-:23])=[O:24].[Na+:7].[Na+:8].[OH2:34].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]([CH3:33])[c:18]([CH3:32])[n:19][c:20]([O:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:21]1[NH2:22]Participants
6
Sources & evidence
- ORD record
- ord-123a5f19d08d46c688b850b14e9f779b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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