HRID1555565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2737744

5-Amino-2-(trifluoromethyl)pyridine

C6H5F3N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1

HCID66965661

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1

HCID66965279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86fde1603e244fef9eaa3ebe080a2561
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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