Acetic Acid → HCID 178500521, compound

HRID 301412Notes

Reaction equation

HRID 301412 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[nH:6][c:7](=[O:21])[c:8]([CH2:18][CH:19]=[O:20])[c:9]([N:11]([C:12]([CH3:13])=[O:14])[C:15]([CH3:16])=[O:17])[n:10]1.[C:43]([BH3-:44])#[N:45].[CH3:47][C:48](=[O:49])[OH:50].[NH2:22][c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH3:36])[C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]1.[Na+:46]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[nH:6][c:7](=[O:21])[c:8]([CH2:18][CH2:19][NH:22][c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH3:36])[C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]2)[c:9]([N:11]([C:12]([CH3:13])=[O:14])[C:15]([CH3:16])=[O:17])[n:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 12469742HCID 12469742, compoundHCID 135577947HCID 135577947, compound

Product 1

HCID 178500521HCID 178500521, compound

Sources & evidence

ORD record
ord-29696ab740c34d0e95cc78caf45a677f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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