HRID310697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID79443

Benzene, 1-isocyanato-4-methoxy-

C8H7NO2

HCID9543249

Dibutyltin ion

C8H18Sn+2

HCID66669841

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)N(C)c2cc(Nc3ccc(F)cc3)ncn2)cc1

HCID57710409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-400888293ca34a7abde0a73a8b55fcf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:28]([O-:29])(=[O:30])[CH3:31].[C:32]([O-:33])(=[O:34])[CH3:35].[C:45](=[O:46])([O-:47])[O-:48].[CH2:36]([Sn+2:37][CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([N:25]=[C:26]=[O:27])[cH:23][cH:24]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][CH3:16])[cH:14]2)[cH:6][cH:7]1.[Na+:49].[Na+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([N:15]([CH3:16])[C:26]([NH:25][c:22]3[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]3)=[O:27])[cH:14]2)[cH:6][cH:7]1