Acetic Acid → HCID 69316373, compound

HRID 163822Notes

Reaction equation

HRID 163822 reaction equation
[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[C:37](=[O:38])([OH:39])[O-:40].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[NH:15][CH2:16][CH2:17][NH2:18].[CH3:19][C:20](=[O:21])[OH:22].[Na+:36].[Na+:41].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH:2]1([NH:18][CH2:17][CH2:16][NH:15][C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:14])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 7967CyclohexanoneHCID 8028TetrahydrofuranHCID 187201N-BOC-ethylenediamineHCID 2724942Triacetoxyborohydride

Product 1

HCID 69316373HCID 69316373, compound

Sources & evidence

ORD record
ord-21c5b3abefac42aaa0b6196e12c9026d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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