Ethanol → HCID 178429011, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[c:11]([CH3:18])[cH:12][c:13]([OH:17])[cH:14][c:15]1[CH3:16])[C:19]([N:20]([CH:21]([CH3:22])[c:23]1[nH:24][cH:25][c:26](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:27]1)[CH2:34][c:35]1[cH:36][c:37]([C:41]#[N:42])[cH:38][cH:39][cH:40]1)=[O:43])=[O:44].[CH3:49][CH2:50][OH:51].[Na+:48].[OH-:47].[OH:45][OH:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[c:11]([CH3:18])[cH:12][c:13]([OH:17])[cH:14][c:15]1[CH3:16])[C:19]([N:20]([CH:21]([CH3:22])[c:23]1[nH:24][cH:25][c:26](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:27]1)[CH2:34][c:35]1[cH:36][c:37]([C:41]([NH2:42])=[O:45])[cH:38][cH:39][cH:40]1)=[O:43])=[O:44]Participants
6
Sources & evidence
- ORD record
- ord-4ee3fb8f79114a559255200e48daee80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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