Ethanol → HCID 22989408, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]1[n:10][c:11]2[n:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([O:27][CH:28]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[CH2:25][CH2:26]3)[cH:15][cH:16]2)[cH:41]1)=[O:42].[CH3:45][CH2:46][OH:47].[Na+:44].[OH-:43]>>[O:3]=[C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]1[n:10][c:11]2[n:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([O:27][CH:28]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[CH2:25][CH2:26]3)[cH:15][cH:16]2)[cH:41]1)[OH:42]Participants
5
Sources & evidence
- ORD record
- ord-520f2a16aea74e1d85c57d94379fe863
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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