Acetic Acid → HCID 86650673, compound

HRID 118771Notes

Reaction equation

HRID 118771 reaction equation
[C:42]([BH3-:43])#[N:44].[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1)[NH:14][C:15]1=[CH:19][CH:18]([c:20]2[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[N:17]([c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]2)[C:16]1=[O:41].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][C:58](=[O:59])[OH:60].[Na+:45].[Na+:50]>>[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1)[NH:14][CH:15]1[C:16](=[O:41])[N:17]([c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]2)[CH:18]([c:20]2[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[CH2:19]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 86650655HCID 86650655, compound

Product 1

HCID 86650673HCID 86650673, compound

Sources & evidence

ORD record
ord-0c19a7fdedc4474d95003e161e918b2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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