Ethanol → HCID 22768121, compound
Reaction equation
[CH2:1]([C:2]#[CH:3])[N:4]([C:5]([CH2:6][Cl:7])=[O:8])[CH2:9][CH:10]([O:11][CH2:12][CH3:13])[O:14][CH2:15][CH3:16].[CH3:34][CH2:35][OH:36].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[c:17]1([CH3:18])[c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25][cH:26][cH:27]1>>[CH2:1]([C:2]#[CH:3])[N:4]([C:5]([CH2:6][Cl:7])=[O:8])[CH2:9][CH:10]1[O:11][CH2:12][CH2:16][CH2:15][O:14]1Participants
6
Sources & evidence
- ORD record
- ord-f87d280797ca444a9651a584c67d0dd5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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