Acetic Acid → HCID 59234704, compound

HRID 675443Notes

Reaction equation

HRID 675443 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:55][C:56](=[O:57])[OH:58].[F:1][c:2]1[c:3](-[c:9]2[c:10](-[c:21]3[cH:22][cH:23][c:24](=[O:36])[n:25](-[c:27]4[c:28]([CH3:35])[cH:29][c:30]([F:34])[cH:31][c:32]4[CH3:33])[cH:26]3)[n:11][c:12]([CH:14]3[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]3)[o:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH2:37][CH:38]([OH:39])[CH3:40].[Na+:54]>>[F:1][c:2]1[c:3](-[c:9]2[c:10](-[c:21]3[cH:22][cH:23][c:24](=[O:36])[n:25](-[c:27]4[c:28]([CH3:35])[cH:29][c:30]([F:34])[cH:31][c:32]4[CH3:33])[cH:26]3)[n:11][c:12]([CH:14]3[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]3)[o:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 522583Acetaldehyde ammoniaHCID 2724942TriacetoxyborohydrideHCID 67255009HCID 67255009, compound

Product 1

HCID 59234704HCID 59234704, compound

Sources & evidence

ORD record
ord-dcbccc25a00e4bc1ad0358a6eb211dd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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