Acetic Acid → HCID 178440866, compound

HRID 106116Notes

Reaction equation

HRID 106116 reaction equation
[C:30]([BH3-:31])#[N:32].[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][C:27]([CH3:28])=[O:29].[CH3:34][OH:35].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([C:9]([CH3:10])([NH2:11])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:19][CH:20]=[CH2:21])[cH:5][cH:6][cH:7]1.[Na+:33]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([C:9]([CH3:10])([NH:11][CH:27]([CH3:26])[CH3:28])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:19][CH:20]=[CH2:21])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 76834497HCID 76834497, compound

Product 1

HCID 178440866HCID 178440866, compound

Sources & evidence

ORD record
ord-846fe0bbbdb3443798fb7c8baaa6a636
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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