HRID2154021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID5943

Carbon tetrachloride

CCl4

HCID8857

Ethyl acetate

C4H8O2

HCID10130885

tosyl bromide

C7H7BrO2S

结构：CC(C)(C)OC(=O)n1ccc2cc(S)c(C(C)(C)C)cc21

HCID54456211

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Sc2cc3ccn(C(=O)OC(C)(C)C)c3cc2C(C)(C)C)cc1

HCID54161612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22da5bce8cbb4cf396822af85c288919
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

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