Ethanol → HCID 178447626, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([NH:7][C:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:16]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[C:33]#[CH:34])=[O:35].[CH3:49][CH2:50][OH:51].[K+:43].[Li+:36].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:37].[OH2:52].[S:38](=[O:39])(=[O:40])([OH:41])[O-:42]>>[O:3]=[C:4]([CH2:5][CH:6]([NH:7][C:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:16]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[C:33]#[CH:34])[OH:35]Participants
9
Sources & evidence
- ORD record
- ord-6b7201a8bdf74c2998a5882013e0238d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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