Diisopropylethylamine → N-(4-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-ylamino]phenyl}-acrylamide

반응식

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

참가 물질

반응물 3

HCID 81531Diisopropylethylamine

HCID 22028121HCID 22028121, 화합물

HCID 22496099N-(4-Aminophenyl)prop-2-enamide

생성물 1

HCID 10112979N-(4-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-ylamino]phenyl}-acrylamide

출처 및 근거

ORD 기록: ord-06db7eab24b343229b37847a153417cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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