Chloride → 3-(2-Amino-6-phenoxy-3,4-dihydro-quinolin-3-yl)-N-cyclohexyl-N-methyl-propionamide

HRID 2159278Notes

Reaction equation

HRID 2159278 reaction equation
[Al+3:32].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[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:27]#[N:28])=[O:29])[CH3:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:31].[Cl-:33].[Cl-:34]>>[CH:1]1([N:7]([C:8]([CH2:9][CH2:10][CH:11]2[CH2:12][c:13]3[c:14]([cH:15][cH:16][c:17]([O:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:18]3)[N:26]=[C:27]2[NH2:28])=[O:29])[CH3:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 312Chloride3×HCID 1140TolueneHCID 104727Aluminum CationHCID 672689265-(2-Amino-5-phenoxy-phenyl)-4-cyano-pentanoic acid cyclohexyl-methyl-amide

Product 1

HCID 594281643-(2-Amino-6-phenoxy-3,4-dihydro-quinolin-3-yl)-N-cyclohexyl-N-methyl-propionamide

Sources & evidence

ORD record
ord-9693ab701c334a25ad7a0968f5e2c45b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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