HRID104503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10566710

未命名化合物

HCID13062825

5,10-Dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepine

C11H11N3

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)c(Cl)c1

HCID21837051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0772630b50be45cbb271f9a1d06740af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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