Acetic Acid → HCID 178491173, compound

HRID 2323793Notes

Reaction equation

HRID 2323793 reaction equation
[C:37]([BH3-:38])#[N:39].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][nH:11][cH:12][c:13]2[NH:14][CH2:15][c:16]2[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]2)[cH:25][cH:26][c:27]([O:29][CH3:30])[cH:28]1.[CH3:45][C:46](=[O:47])[OH:48].[Cl-:44].[Mg+2:31].[Na+:40].[Na+:42].[Na+:43].[O-:32][S:33](=[O:34])(=[O:35])[O-:36].[OH-:41]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][nH:11][cH:12][c:13]2[N:14]([CH2:15][c:16]2[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]2)[CH3:37])[cH:25][cH:26][c:27]([O:29][CH3:30])[cH:28]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 888Magnesium CationHCID 923Sodium ion3×HCID 961HydroxideHCID 1117Sulfate IonHCID 498716Cyano-borohydrideHCID 178491172HCID 178491172, compound

Product 1

HCID 178491173HCID 178491173, compound

Sources & evidence

ORD record
ord-7439d35a2d5f45c9837fed92fe1c8e94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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