Ethanol → HCID 66868007, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:16][C:17](=[O:18])[c:19]2[c:20]([O:26][CH3:27])[cH:21][cH:22][c:23]([Cl:25])[cH:24]2)[c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[c:9]1[CH3:10].[CH3:37][CH2:38][OH:39].[Na+:29].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH-:28].[OH2:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:16][C:17](=[O:18])[c:19]2[c:20]([O:26][CH3:27])[cH:21][cH:22][c:23]([Cl:25])[cH:24]2)[c:8]([C:11](=[O:12])[OH:13])[c:9]1[CH3:10]Participants
7
Sources & evidence
- ORD record
- ord-296e004843c24509870cc980f33b8444
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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