Acetic Acid → HCID 178456166, compound

HRID 1117636Notes

Reaction equation

HRID 1117636 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:37][C:38]([CH3:39])=[O:40].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:1]1([N:7]2[C:8](=[O:36])[CH:9]([CH2:12][c:13]3[c:14]([Cl:35])[cH:15][c:16](-[c:20]4[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]5[CH:29]6[CH2:30][NH:31][CH:32]([CH2:33]5)[CH2:34]6)[cH:24][cH:25]4)[cH:17][c:18]3[Cl:19])[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:44]>>[CH:1]1([N:7]2[C:8](=[O:36])[CH:9]([CH2:12][c:13]3[c:14]([Cl:35])[cH:15][c:16](-[c:20]4[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]5[CH:29]6[CH2:30][N:31]([CH:38]([CH3:37])[CH3:39])[CH:32]([CH2:33]5)[CH2:34]6)[cH:24][cH:25]4)[cH:17][c:18]3[Cl:19])[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 66621762HCID 66621762, compound

Product 1

HCID 178456166HCID 178456166, compound

Sources & evidence

ORD record
ord-b50311f8de5949848a9b31e7732f69d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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