Acetic Acid → HCID 68430972, compound

HRID 1223518Notes

Reaction equation

HRID 1223518 reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][c:22]3[cH:23][c:24]([NH2:28])[cH:25][cH:26][cH:27]3)[cH:17][cH:18]2)[cH:12]1.[C:29]([BH3-:30])#[N:31].[C:44](=[O:45])([O-:46])[OH:47].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][OH:38].[CH3:39][C:40](=[O:41])[CH3:42].[Na+:32].[Na+:43]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][c:22]3[cH:23][c:24]([NH:28][CH:34]([CH3:29])[CH3:33])[cH:25][cH:26][cH:27]3)[cH:17][cH:18]2)[cH:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 68430732HCID 68430732, compound

Product 1

HCID 68430972HCID 68430972, compound

Sources & evidence

ORD record
ord-ad0e6b465506492ca17ee34e5a98befe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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