Acetic Acid → HCID 70872922, compound

HRID 1535252Notes

Reaction equation

HRID 1535252 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15](-[c:25]3[cH:26][cH:27][c:28]([CH:31]=[O:32])[cH:29][cH:30]3)[n:16][c:17]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:18]2)=[O:33])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:34][NH:35][CH3:36].[CH3:37][C:38](=[O:39])[OH:40].[CH3:45][OH:46].[Na+:44]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15](-[c:25]3[cH:26][cH:27][c:28]([CH2:31][N:35]([CH3:34])[CH3:36])[cH:29][cH:30]3)[n:16][c:17]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:18]2)=[O:33])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 674DimethylamineHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 86672644HCID 86672644, compound

Product 1

HCID 70872922HCID 70872922, compound

Sources & evidence

ORD record
ord-73ab0e32f9af4620888059cc109dcb4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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