Ethanol → HCID 6482396, compound
Reaction equation
[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:26])[c:12]3[c:13]([n:14]([CH:16]([CH3:17])[CH3:18])[cH:15]2)[s:19][c:20]([C:22]#[C:23][CH2:24][OH:25])[cH:21]3)[cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:26])[c:12]3[c:13]([n:14]([CH:16]([CH3:17])[CH3:18])[cH:15]2)[s:19][c:20]([CH2:22][CH2:23][CH2:24][OH:25])[cH:21]3)[cH:27][cH:28]1Participants
3
Sources & evidence
- ORD record
- ord-820ae4b5938e426ab21fda1d7c06c00a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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