HRID1221346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1

HCID15380222

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1

HCID15340920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a55ad8262e6e4d2d8702af5bd6e3bb34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][nH:11][c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][n:11]([CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1