HRID2134515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

结构：CCNCc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)OC)c1

HCID58288538

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)OC)c1)S(=O)(=O)c1ccc(OC)cc1

HCID58288529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f52f5c3386b42a7995fd2691553fef2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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