HRID147670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45088712

未命名化合物

结构：COc1cc(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

HCID86654019

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)N(C)C3)n1

HCID58292948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04952a24c6ee48c29ff2e181e2033efb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])=[O:31])[cH:32][cH:33]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[NH2:36][c:37]1[cH:38][cH:39][cH:40][c:41]2[c:45]1[C:44](=[O:46])[N:43]([CH3:47])[CH2:42]2>>[c:2]1([NH:36][c:37]2[cH:38][cH:39][cH:40][c:41]3[c:45]2[C:44](=[O:46])[N:43]([CH3:47])[CH2:42]3)[n:3][c:4]([NH:12][c:13]2[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])=[O:31])[cH:32][cH:33]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]