HRID2335264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

结构：Cc1ccc(-c2cccc(C=CC(=O)Nc3ccc(CCl)cc3)c2)cc1

HCID54107296

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)C=Cc2cccc(-c3ccc(C)cc3)c2)cc1

HCID69352622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1237348b8fb54d618b48694962b71e1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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