Acetate → HCID 22765668, compound

HRID 693965Notes

Reaction equation

HRID 693965 reaction equation
[CH3:22][C:23](=[O:24])[O-:25].[CH3:26][C:27](=[O:28])[O-:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][C:7]([C:8]#[N:9])([CH3:10])[CH3:11])[cH:12][cH:13]1.[NH2:14][C:15]([CH2:16][OH:17])([CH3:18])[CH3:19].[NH3:20].[Zn+2:21]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][C:7]([C:8]2=[N:9][C:15]([CH3:18])([CH3:19])[CH2:16][O:17]2)([CH3:10])[CH3:11])[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 175Acetate2×HCID 222AmmoniaHCID 118072-Amino-2-methyl-1-propanolHCID 32051Zinc(2+)HCID 27813212-(4-chlorophenoxy)-2-methylpropanenitrile

Product 1

HCID 22765668HCID 22765668, compound

Sources & evidence

ORD record
ord-fd0d51fd12a44ac78db57d8be63df98a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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