Acetic Acid → HCID 178434817, compound

HRID 162769Notes

Reaction equation

HRID 162769 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]([CH3:24])[O:10][c:11]2[c:12]([cH:19][c:20]([F:23])[cH:21][cH:22]2)[N:13]([CH2:16][CH:17]=[O:18])[C:14]1=[O:15])=[O:25].[C:36]([BH3-:37])#[N:38].[CH2:26]1[CH2:27][O:28][CH2:29][CH2:30][NH:31]1.[CH2:49]([O:50][C:51](=[O:52])[CH3:53])[CH3:54].[CH3:32][C:33](=[O:34])[OH:35].[CH3:40][OH:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Na+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]([CH3:24])[O:10][c:11]2[c:12]([cH:19][c:20]([F:23])[cH:21][cH:22]2)[N:13]([CH2:16][CH2:17][N:31]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[C:14]1=[O:15])=[O:25]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 498716Cyano-borohydrideHCID 178434820HCID 178434820, compound

Product 1

HCID 178434817HCID 178434817, compound

Sources & evidence

ORD record
ord-5035a7aa051f4fa8a5beb48cc5725726
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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