Ethanol → HCID 178445106, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[N:12]1[NH:13][CH:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]1)=[CH2:25].[CH3:28][CH2:29][OH:30].[Na+:27].[OH-:26].[OH2:31]>>[O:3]=[C:4]([OH:5])[C:6]([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[N:12]1[NH:13][CH:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]1)=[CH2:25]Participants
6
Sources & evidence
- ORD record
- ord-4a3ec1d7e7d947a0a9b5b825f6e83f49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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