HRID197230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID9731

4-Fluoroaniline

C6H6FN

结构：CSc1nc(-c2cc(C(=O)O)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57530530

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID59212682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56132eb4009142a09b276da993c84950
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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