Ethanol → HCID 178437061, compound
Reaction equation
[CH3:32][CH2:33][OH:34].[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[O:6][CH:7]([n:11]2[cH:12][c:13]([C:28]#[CH:29])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[CH2:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:8][CH:9]1[OH:10])(=[O:30])=[O:31]>>[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[O:6][CH:7]([n:11]2[cH:12][c:13]([CH2:28][CH3:29])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[CH2:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:8][CH:9]1[OH:10])(=[O:30])=[O:31]Participants
3
Sources & evidence
- ORD record
- ord-4e56957032ea4785ab6d21349be11b8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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