Acetic Acid → HCID 178462683, compound

HRID 1125177Notes

Reaction equation

HRID 1125177 reaction equation
[C:28]([CH3:29])([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])=[O:40].[C:49](=[O:50])([OH:51])[O-:52].[CH2:61]([Cl:62])[Cl:63].[CH3:45][C:46](=[O:47])[OH:48].[CH3:54][N:55]1[CH2:56][CH2:57][CH2:58][C:59]1=[O:60].[CH:42](=[O:43])[CH3:44].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[Na+:41].[Na+:53]>>[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH3:29])[CH2:26][CH2:27]2)[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 178518348HCID 178518348, compound

Product 1

HCID 178462683HCID 178462683, compound

Sources & evidence

ORD record
ord-d30e5adf658a43d5b5b97b9f59c9398e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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