Diisopropylethylamine → Methyl 4-{[({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]phenyl}methyl)amino]carbonyl}benzoate

HRID 116153

Reaction equation

HRID 116153 reaction equation
[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]1.[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1)[C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]1

Participants

4

Reactant 3

HCID 81531DiisopropylethylamineHCID 81850Methyl 4-(chlorocarbonyl)benzoateHCID 594514053-{[5-(Aminomethyl)-2-chlorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 59451388Methyl 4-{[({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]phenyl}methyl)amino]carbonyl}benzoate

Sources & evidence

ORD record
ord-2e8542b867514a5d863abecea55174a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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