HRID170210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID3667622

4-Chlorosulfonyl-benzoic acid ethyl ester

C9H9ClO4S

结构：CC(c1ccc(N)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86629109

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

HCID86645951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4ff2b3608a34a128ab13ac641a41971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[Cl:14])[cH:9][cH:10]1)=[O:15].[NH2:16][c:17]1[cH:18][c:19]([Cl:38])[c:20]([CH:23]([C:24]([C:25]([F:26])([F:27])[F:28])([OH:29])[c:30]2[cH:31][c:32]([Cl:36])[n:33][cH:34][cH:35]2)[CH3:37])[cH:21][cH:22]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:16][c:17]2[cH:18][c:19]([Cl:38])[c:20]([CH:23]([C:24]([C:25]([F:26])([F:27])[F:28])([OH:29])[c:30]3[cH:31][c:32]([Cl:36])[n:33][cH:34][cH:35]3)[CH3:37])[cH:21][cH:22]2)[cH:9][cH:10]1)=[O:15]