HRID801670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID22541

Di-tert-butyl ether

C8H18O

HCID589711

未命名化合物

HCID2778908

3-cyano-4-fluorobenzenesulfonyl chloride

C7H3ClFNO2S

HCID3028194

Lithium

HCID57732151

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2ncc(Cl)s2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(OC)c1

HCID59436479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6269444130dd47ccad13aca6a66c2d3d
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

[C:29](#[N:30])[c:31]1[cH:32][c:33]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:34][cH:35][c:36]1[F:37].[C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])([CH3:50])([CH3:51])[CH3:52].[CH3:19][SiH:20]([CH3:21])[N:22]([CH3:23])[Si:24]([CH3:25])([CH3:26])[CH3:27].[Cl-:42].[Cl:1][c:2]1[cH:3][n:4][c:5]([NH:7][CH2:8][c:9]2[c:10]([O:17][CH3:18])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[s:6]1.[Li:28].[NH4+:43].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58]>>[Cl:1][c:2]1[cH:3][n:4][c:5]([N:7]([CH2:8][c:9]2[c:10]([O:17][CH3:18])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[S:38]([c:33]2[cH:32][c:31]([C:29]#[N:30])[c:36]([F:37])[cH:35][cH:34]2)(=[O:39])=[O:40])[s:6]1