Ammonium → 5-(2-Amino-5-phenoxy-phenyl)-4-cyano-pentanoic acid cyclohexyl-methyl-amide

HRID 199197Notes

Reaction equation

HRID 199197 reaction equation
[CH3:36][OH:37].[CH:1]1([N:7]([C:8]([CH2:9][CH2:10][CH:11]([CH2:12][c:13]2[c:14]([N+:26]([O-:27])=[O:28])[cH:15][cH:16][c:17]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18]2)[C:29]#[N:30])=[O:31])[CH3:32])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:33].[NH4+:34].[Zn:35]>>[CH:1]1([N:7]([C:8]([CH2:9][CH2:10][CH:11]([CH2:12][c:13]2[c:14]([NH2:26])[cH:15][cH:16][c:17]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18]2)[C:29]#[N:30])=[O:31])[CH3:32])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 23994ZincHCID 672695344-Cyano-5-(2-nitro-5-phenoxy-phenyl)-pentanoic acid cyclohexyl-methyl-amide

Product 1

HCID 672689265-(2-Amino-5-phenoxy-phenyl)-4-cyano-pentanoic acid cyclohexyl-methyl-amide

Sources & evidence

ORD record
ord-54463137ab364fa69acd39f8aff5c88e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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