HRID818078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2737308

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)c2cc3ccccc3[nH]2)s1

HCID22439200

N-(4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)indole-2-carboxamide

C26H22ClN5O2S

PRODUCTS

生成物

结构：CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)c2[nH]c3ccccc3c2F)s1

HCID22439249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb18e621ed1d46e98b94862483e6be23
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[c:14]([CH2:19][NH:20][C:21](=[O:22])[c:23]4[nH:24][c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]5[cH:31]4)[n:15][n:16][c:17]3[CH3:18])[s:8][c:9]([CH2:11][CH3:12])[cH:10]2)[cH:32][cH:33][cH:34][cH:35]1.[Cl:53][CH:54]([Cl:55])[CH3:56].[F:44][n+:45]1[c:46]([Cl:47])[cH:48][cH:49][cH:50][c:51]1[Cl:52].[S:36]([O-:37])([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[c:14]([CH2:19][NH:20][C:21](=[O:22])[c:23]4[nH:24][c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]5[c:31]4[F:40])[n:15][n:16][c:17]3[CH3:18])[s:8][c:9]([CH2:11][CH3:12])[cH:10]2)[cH:32][cH:33][cH:34][cH:35]1