Ethanol → HCID 21255009, compound
Reaction equation
[CH3:29][CH2:30][OH:31].[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([S:27][CH3:28])[n:12][n:13]3[c:14]2[n:15][c:16]([Cl:26])[cH:17][c:18]3[N:19]2[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([S:27][CH3:28])[n:12][n:13]3[c:14]2[n:15][cH:16][cH:17][c:18]3[N:19]2[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-ebf14a69bb4f40518ce9b04a46349531
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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