Ethanol → HCID 178437456, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21](=[O:22])[O:23][CH3:24])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[cH:25][c:26]([NH:30][C:31](=[N:32][C:33]#[N:34])[N:35]([CH3:36])[CH3:37])[cH:27][c:28]2[CH3:29].[CH3:40][CH2:41][OH:42].[Na+:39].[OH-:38]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21](=[O:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[cH:25][c:26]([NH:30][C:31](=[N:32][C:33]#[N:34])[N:35]([CH3:36])[CH3:37])[cH:27][c:28]2[CH3:29]Participants
5
Sources & evidence
- ORD record
- ord-9ffa5f9121c3422b9a7039cce624a6f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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