Ethanol → HCID 10872742, compound
Reaction equation
[CH3:24][C:25]([Cl:26])=[O:27].[CH3:28][CH2:29][OH:30].[Cl:1][C:2]1([C:5]([CH2:6][c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)([CH2:14][n:15]2[n:16][cH:17][n:18][c:19]2[SH:20])[OH:21])[CH2:3][CH2:4]1.[H-:22].[Na+:23].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[Cl:1][C:2]1([C:5]([CH2:6][c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)([CH2:14][n:15]2[n:16][cH:17][n:18][c:19]2[S:20][C:25]([CH3:24])=[O:27])[OH:21])[CH2:3][CH2:4]1Participants
7
Sources & evidence
- ORD record
- ord-63bd84af42bc494295025d40bcc53d45
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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