Acetic Acid → HCID 54721753, compound

HRID 2139852Notes

Reaction equation

HRID 2139852 reaction equation
[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([Cl:34])=[O:35].[C:42]([BH3-:43])#[N:44].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:36][C:37]([CH3:38])([OH:39])[C:40]#[N:41].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][C:51]#[N:52].[Cl:53][CH2:54][Cl:55].[Na+:45].[OH:1][C:2]1=[CH:3][C:4](=[O:19])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:7]1>>[OH:1][C:2]1=[C:3]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[C:4](=[O:19])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6406Acetone CyanohydrinHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 498716Cyano-borohydrideHCID 54687158HCID 54687158, compound

Product 1

HCID 54721753HCID 54721753, compound

Sources & evidence

ORD record
ord-6d6c85e97aa64d0baf92749a48ffbf0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…