Acetic Acid → HCID 10478752, compound
Reaction equation
[BH4-:35].[CH3:31][C:32]([CH3:33])=[O:34].[CH3:37][C:38](=[O:39])[OH:40].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:11][c:12](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:13]2)[cH:6][cH:7]1.[Na+:36].[OH2:41]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:11][c:12](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:13]2)[cH:6][cH:7]1)[CH:32]([CH3:31])[CH3:33]Participants
7
Sources & evidence
- ORD record
- ord-124c4fcc308a4e66abd21b68f3da3961
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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