Ethanol → HCID 22054031, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:13][S:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22].[CH3:32][CH2:33][OH:34].[Na+:30].[O:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[OH-:29].[OH2:31]>>[O:3]=[C:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:13][S:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[OH:22]Participants
7
Sources & evidence
- ORD record
- ord-9af0f1c25e9e4a2cb52a9c3f25a5828d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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