Ethyl 4-(2,6-dimethylanilino)butyrate → ethyl N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]-4-(2,6-dimethylanilino)butyrate

반응식

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

참가 물질

반응물 2

HCID 20292063Ethyl 4-(2,6-dimethylanilino)butyrate

HCID 20292207N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetic acid

생성물 1

HCID 20292231ethyl N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]-4-(2,6-dimethylanilino)butyrate

출처 및 근거

ORD 기록: ord-5073046a91c64c83a8b9b4c50c9bb0a1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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