Acetaldehyde → HCID 57794673, compound
Reaction equation
[BH4-:46].[CH3:48][OH:49].[CH:43]([CH3:44])=[O:45].[NH2:1][c:2]1[c:3]([NH:8][C:9]([CH:10]([CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[CH2:31][C:32]2=[CH:33][CH:34]3[CH:35]=[N:36][NH:37][CH:38]3[C:39]([CH3:41])=[CH:40]2)=[O:42])[cH:4][cH:5][cH:6][cH:7]1.[Na+:47]>>[NH:1]([c:2]1[c:3]([NH:8][C:9]([CH:10]([CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[CH2:31][C:32]2=[CH:33][CH:34]3[CH:35]=[N:36][NH:37][CH:38]3[C:39]([CH3:41])=[CH:40]2)=[O:42])[cH:4][cH:5][cH:6][cH:7]1)[CH2:43][CH3:44]Participants
6
Sources & evidence
- ORD record
- ord-f27a36d8b34d4f44b8d23f0854b99086
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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