HRID827555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8471

Triethylamine

C6H15N

HCID178465527

未命名化合物

HCID178489435

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)NC(C)c2cc(F)ccc2-c2ccccc2F)cc1

HCID22482259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f1fe60a61a342169ab94d2961769a7d
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH:9]1[C:10]([CH3:11])([CH3:12])[CH2:13][O:14][P:15](=[O:16])([O-:17])[O:18]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][O:44][c:45]1[cH:46][cH:47][c:48]([S:51](=[O:52])(=[O:53])[Cl:54])[cH:49][cH:50]1.[CH3:55][C:56]#[N:57].[F:19][c:20]1[c:21](-[c:26]2[c:27]([CH:33]([CH3:34])[NH3+:35])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:22][cH:23][cH:24][cH:25]1>>[F:19][c:20]1[c:21](-[c:26]2[c:27]([CH:33]([CH3:34])[NH:35][S:51]([c:48]3[cH:47][cH:46][c:45]([O:44][CH3:43])[cH:50][cH:49]3)(=[O:52])=[O:53])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:22][cH:23][cH:24][cH:25]1