邻氯苯异氰酸酯 → Ethyl 4-[3-({[(2-Chlorophenyl)Amino]Carbonyl}Amino)Phenyl]-8-(Trifluoromethyl)Quinoline-3-Carboxylate

HRID 125761

反应方程式

HRID 125761 反应方程式
[Cl:27][c:28]1[c:29]([N:34]=[C:35]=[O:36])[cH:30][cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1)[C:35]([NH:34][c:29]1[c:28]([Cl:27])[cH:33][cH:32][cH:31][cH:30]1)=[O:36]

参与物

3

反应物 2

HCID 76833邻氯苯异氰酸酯HCID 66913532Ethyl 4-(3-aminophenyl)-8-(trifluoromethyl)quinoline-3-carboxylate

产物 1

HCID 66913392Ethyl 4-[3-({[(2-Chlorophenyl)Amino]Carbonyl}Amino)Phenyl]-8-(Trifluoromethyl)Quinoline-3-Carboxylate

来源与证据

ORD记录
ord-07e7f61f65a548b78fff763651ac7141
来源数据集
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

关联笔记

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