Acetic Acid → HCID 57934267, compound

HRID 194762Notes

Reaction equation

HRID 194762 reaction equation
[C:29]([CH3:30])([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])=[O:41].[C:46](=[O:47])([OH:48])[O-:49].[CH3:56][C:57](=[O:58])[OH:59].[CH:43](=[O:44])[CH3:45].[Na+:42].[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][c:11]2[c:12]([CH2:13][CH:14]3[CH2:15][c:16]4[cH:17][cH:18][c:19]([OH:24])[cH:20][c:21]4[CH2:22][CH2:23]3)[cH:25][cH:26][cH:27][cH:28]2)[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([c:11]2[c:12]([CH2:13][CH:14]3[CH2:15][c:16]4[cH:17][cH:18][c:19]([OH:24])[cH:20][c:21]4[CH2:22][CH2:23]3)[cH:25][cH:26][cH:27][cH:28]2)[CH2:29][CH3:30])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 57934063HCID 57934063, compound

Product 1

HCID 57934267HCID 57934267, compound

Sources & evidence

ORD record
ord-c789d73e0d9746e79c41653b8bb6af15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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