Dichloromethane → Diethyl 2-{[2-({3-chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)benzyl]amino}-2-oxoethylphosphonate

HRID 155493

Reaction equation

HRID 155493 reaction equation
[CH2:26]([CH3:27])[O:28][P:29](=[O:30])([O:31][CH2:32][CH3:33])[CH2:34][C:35](=[O:36])[OH:37].[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:53][CH2:54][Cl:55].[NH2:1][CH2:2][c:3]1[c:4]([NH:9][c:10]2[cH:11][c:12]([Cl:25])[c:13]([C:16](=[O:17])[c:18]3[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]3)[cH:14][cH:15]2)[cH:5][cH:6][cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:9][c:10]2[cH:11][c:12]([Cl:25])[c:13]([C:16](=[O:17])[c:18]3[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]3)[cH:14][cH:15]2)[cH:5][cH:6][cH:7][cH:8]1)[C:35]([CH2:34][P:29]([O:28][CH2:26][CH3:27])(=[O:30])[O:31][CH2:32][CH3:33])=[O:36]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 36704(Diethoxyphosphinyl)acetic acidHCID 22174531(4-{[2-(Aminomethyl)phenyl]amino}-2-chlorophenyl)(2-methylphenyl)methanone

Product 1

HCID 22174547Diethyl 2-{[2-({3-chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)benzyl]amino}-2-oxoethylphosphonate

Sources & evidence

ORD record
ord-94cb344f4b3541a5abc45b522b8abe4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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