HRID1558961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8111

Diethylenetriamine

C4H13N3

HCID19660

Carbonate

CO3-2

HCID81850

Methyl 4-(chlorocarbonyl)benzoate

C9H7ClO3

HCID66858122

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1

HCID66859533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49802213418149bc80495fe2c039ad8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[Cl:12])[cH:8][cH:9]1)=[O:13].[CH3:46][C:47]#[N:48].[F:14][CH:15]([O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][n:22]2[n:23][c:24]([NH2:31])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[cH:32][cH:33]1)[F:34].[NH2:39][CH2:40][CH2:41][NH:42][CH2:43][CH2:44][NH2:45].[O-:35][C:36](=[O:37])[O-:38]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[NH:31][c:24]2[n:23][n:22]([CH2:21][c:20]3[cH:19][cH:18][c:17]([O:16][CH:15]([F:14])[F:34])[cH:33][cH:32]3)[c:30]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:8][cH:9]1)=[O:13]