Ethanol → HCID 68452685, compound
Reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([Cl:12])[cH:9][cH:10][c:11]12.[Na+:24].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH-:23].[c:13]1([CH3:22])[c:14]([B:19]([OH:20])[OH:21])[cH:15][cH:16][cH:17][cH:18]1>>[c:2]1(-[c:14]2[c:13]([CH3:22])[cH:18][cH:17][cH:16][cH:15]2)[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([Cl:12])[cH:9][cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-720ff85202994624b99e341a77698a8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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