Ethanol → HCID 66892487, compound
Reaction equation
[CH2:31]([OH:32])[CH3:33].[CH3:11][O:12][CH2:13][CH:14]=[CH:15][B:16]1[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[c:3]([C:9]#[N:10])[n:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:47].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[Cl:1][c:2]1[c:3]([C:9]#[N:10])[n:4][cH:5][c:6]([CH:15]=[CH:14][CH2:13][O:12][CH3:11])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-edf8b157b66f438797898f2d70da13f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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