HRID2313921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID600596

4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione

C9H8N2O2

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(OC)c1)OCC

HCID86654002

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)N(C)C4=O)n2)c(OC)c1)OCC

HCID49821190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e34a483ad22045d396d0aa3c463ba43d
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

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