Ethanol → HCID 178509068, compound
Reaction equation
[CH3:32][CH2:33][OH:34].[Cl:1][c:2]1[cH:3][c:4]([C:9](=[O:6])[O:10][OH:11])[cH:5][cH:7][cH:8]1.[NH2:12][c:13]1[n:14][c:15]([S:30][NH2:31])[c:16]2[n:17][cH:18][n:19]([CH:22]3[CH2:23][CH:24]([OH:25])[CH:26]([CH2:28][OH:29])[O:27]3)[c:20]2[n:21]1>>[O:6]=[S:30]([c:15]1[n:14][c:13]([NH2:12])[n:21][c:20]2[c:16]1[n:17][cH:18][n:19]2[CH:22]1[CH2:23][CH:24]([OH:25])[CH:26]([CH2:28][OH:29])[O:27]1)[NH2:31]Participants
4
Sources & evidence
- ORD record
- ord-1bc80a906b4d4f0c84ffeb00be86ffbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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