HRID1151763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14817

Phosphorus pentasulfide

P4S10

结构：CCP(=O)(OCOC(=O)C(C)(C)C)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID15589804

未命名化合物

PRODUCTS

生成物

结构：CCP(=S)(OCOC(=O)C(C)(C)C)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID53712337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd6a4c55847c4c00aaa66ddb989db32d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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