HRID1125415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75654

Diphenyl phosphorochloridate

C12H10ClO3P

结构：COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F

HCID213053

Cimicoxib

C16H13ClFN3O3S

PRODUCTS

生成物

结构：COc1ccc(-c2c(Cl)ncn2-c2ccc(S(=O)(=O)NP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1F

HCID10008930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e88fdaf6f6f940c0a4268607c215298a
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

[Cl:1][c:2]1[n:3][cH:4][n:5](-[c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[NH2:25])[cH:20][cH:21]2)[c:6]1-[c:7]1[cH:8][c:9]([F:15])[c:10]([O:13][CH3:14])[cH:11][cH:12]1.[P:26](=[O:27])([O:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[Cl:42]>>[Cl:1][c:2]1[n:3][cH:4][n:5](-[c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[NH:25][P:26](=[O:27])([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[O:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:20][cH:21]2)[c:6]1-[c:7]1[cH:8][c:9]([F:15])[c:10]([O:13][CH3:14])[cH:11][cH:12]1