Acetic Acid → HCID 59352169, compound

HRID 290384Notes

Reaction equation

HRID 290384 reaction equation
[C:33]([BH3-:34])#[N:35].[C:43](=[O:44])([OH:45])[O-:46].[CH3:29][C:30]([CH3:31])=[O:32].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:7][N:8]2[C:9](=[O:28])[C:10]3([c:11]4[c:12]([cH:15][c:16]5[c:20]([cH:21]4)[CH2:19][CH2:18][O:17]5)[O:13][CH2:14]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]32)[CH2:5][CH2:6]1.[Na+:36].[Na+:47]>>[N:1]1([CH:30]([CH3:29])[CH3:31])[CH2:2][CH2:3][CH:4]([CH2:7][N:8]2[C:9](=[O:28])[C:10]3([c:11]4[c:12]([cH:15][c:16]5[c:20]([cH:21]4)[CH2:19][CH2:18][O:17]5)[O:13][CH2:14]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]32)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 59352502HCID 59352502, compound

Product 1

HCID 59352169HCID 59352169, compound

Sources & evidence

ORD record
ord-d10a69be419d48a99892647defe0cb7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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