Ethanol → HCID 85898789, compound
Reaction equation
[CH3:33][CH2:34][OH:35].[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][c:15]1[c:16]([CH3:32])[c:17]([CH3:31])[n:18][c:19]([O:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:20]1[N+:21]([O-:22])=[O:23].[Na+:7].[Na+:8].[OH2:36].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][c:15]1[c:16]([CH3:32])[c:17]([CH3:31])[n:18][c:19]([O:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:20]1[NH2:21]Participants
6
Sources & evidence
- ORD record
- ord-c68c03a8dd5c4c97812daf646e0f6585
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…