Ethanol → HCID 10270448, compound
Reaction equation
[CH3:25][CH2:26][O-:27].[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][cH:10][c:11]([NH:13][C:14](=[O:15])[NH:16][c:17]3[n:18][c:19]([CH2:23][CH3:24])[cH:20][cH:21][cH:22]3)[n:12]2)[cH:7]1.[Na+:28].[OH2:32]>>[c:2]1([O:27][CH2:26][CH3:25])[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][cH:10][c:11]([NH:13][C:14](=[O:15])[NH:16][c:17]3[n:18][c:19]([CH2:23][CH3:24])[cH:20][cH:21][cH:22]3)[n:12]2)[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-126faea62aa248b383c1130b103f9e30
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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