Ethanol → HCID 10288741, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[NH:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)=[O:37].[CH3:40][CH2:41][OH:42].[Na+:39].[OH-:38]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[NH:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)[OH:37]Participants
5
Sources & evidence
- ORD record
- ord-405feec394de4676965428a97347f4e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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