HRID123240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID28179

Fluoride

F-

结构：c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID164912

Tetraphenylphosphonium

C24H20P+

结构：O=S(=O)(c1ccc(Cl)nc1)C(c1cc(F)ccc1F)c1ccncc1Cl

HCID23114670

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(F)nc1)C(c1cc(F)ccc1F)c1ccncc1Cl

HCID59750795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4efc15003c545fd89402b23e2a43a24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:32].[CH3:1][C:2]#[N:3].[Cl:4][c:5]1[n:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH:14]([c:15]2[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[c:23]2[c:24]([Cl:29])[cH:25][n:26][cH:27][cH:28]2)[cH:9][cH:10]1.[Cl:58][CH2:59][Cl:60].[F-:30].[K+:31].[c:33]1([P+:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:5]1([F:30])[n:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH:14]([c:15]2[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[c:23]2[c:24]([Cl:29])[cH:25][n:26][cH:27][cH:28]2)[cH:9][cH:10]1