HRID1114804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID7964

Chlorobenzene

C6H5Cl

HCID14568

Sulfamido-3-chlorobenzoic acid

C7H6ClNO4S

HCID24386

Thionyl chloride

Cl2OS

HCID76582

Benzofuran, 2-ethyl-

C10H10O

HCID104727

Aluminum Cation

Al+3

HCID3017979

4-Chloro-3-sulfamoylbenzoyl chloride

C7H5Cl2NO3S

PRODUCTS

生成物

结构：CCc1oc2ccccc2c1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

HCID21316586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-780521d1c91a46488775b9ffd8ac75e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Al+3:45].[CH2:33]([CH3:34])[c:35]1[cH:36][c:37]2[c:38]([o:39]1)[cH:40][cH:41][cH:42][cH:43]2.[CH3:49][OH:50].[Cl-:44].[Cl-:46].[Cl-:47].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:20]([OH:21])=[O:22])[cH:23][c:24]1[S:25](=[O:26])(=[O:27])[NH2:28].[Cl:1][c:2]1[c:3]([S:11]([NH2:12])(=[O:13])=[O:14])[cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1.[Cl:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[ClH:48].[S:29]([Cl:30])([Cl:31])=[O:32]>>[Cl:1][c:2]1[c:3]([S:11]([NH2:12])(=[O:13])=[O:14])[cH:4][c:5]([C:6](=[O:7])[c:36]2[c:35]([CH2:33][CH3:34])[o:39][c:38]3[c:37]2[cH:43][cH:42][cH:41][cH:40]3)[cH:9][cH:10]1