Ammonia → N-(2-amino-1-{[2-(2,6-dichlorophenyl)-6-quinolinyl]methyl}-2-oxoethyl)-2,6-dichlorobenzamide

HRID 303209Notes

Reaction equation

HRID 303209 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][c:12]2[cH:13][c:14]3[cH:15][cH:16][c:17](-[c:22]4[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]4[Cl:28])[n:18][c:19]3[cH:20][cH:21]2)[c:30]([Cl:34])[cH:31][cH:32][cH:33]1.[Cl:35][C:36]([O:37][CH2:38][CH3:39])=[O:40].[NH3:41]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([C:8](=[O:9])[NH2:41])[CH2:11][c:12]2[cH:13][c:14]3[cH:15][cH:16][c:17](-[c:22]4[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]4[Cl:28])[n:18][c:19]3[cH:20][cH:21]2)[c:30]([Cl:34])[cH:31][cH:32][cH:33]1

Participants

5

Reactant 4

HCID 222AmmoniaHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 10052832N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine

Product 1

HCID 57987641N-(2-amino-1-{[2-(2,6-dichlorophenyl)-6-quinolinyl]methyl}-2-oxoethyl)-2,6-dichlorobenzamide

Sources & evidence

ORD record
ord-12f08a3ababf4fdfb7490237fb0b142c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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