HRID662373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID58522621

未命名化合物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1)OCC

HCID86654003

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)C4C)n2)cc1)OCC

HCID58293011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0028ee00e6944b8a68d039e62f3af1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[cH:14][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].[NH2:28][c:29]1[cH:30][cH:31][cH:32][c:33]2[c:37]1[C:36](=[O:38])[N:35]([CH3:39])[CH:34]2[CH3:40].[Na+:45].[O-:41][C:42]([OH:43])=[O:44]>>[c:2]1([NH:28][c:29]2[cH:30][cH:31][cH:32][c:33]3[c:37]2[C:36](=[O:38])[N:35]([CH3:39])[CH:34]3[CH3:40])[n:3][c:4]([NH:12][c:13]2[cH:14][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]