Acetic Acid → HCID 53887463, compound

HRID 1564106Notes

Reaction equation

HRID 1564106 reaction equation
[C:35]([BH3-:36])#[N:37].[CH3:32][CH2:33][OH:34].[CH3:39][C:40](=[O:41])[OH:42].[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[c:9]([NH2:27])[c:10]([F:26])[c:11]([N:15]4[CH2:16][C:17]5([CH2:18][NH:19][CH2:20]5)[C:21](=[N:23][O:24][CH3:25])[CH2:22]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[Na+:38]>>[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[c:9]([NH2:27])[c:10]([F:26])[c:11]([N:15]4[CH2:16][C:17]5([CH2:18][N:19]([CH3:32])[CH2:20]5)[C:21](=[N:23][O:24][CH3:25])[CH2:22]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 53758439HCID 53758439, compound

Product 1

HCID 53887463HCID 53887463, compound

Sources & evidence

ORD record
ord-17b334a249c649c684da73fa13103d1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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