HRID1209388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID70006

Pyrazole, 5-amino-1-phenyl-

C9H9N3

HCID67300050

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1

HCID76024746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e87c40aa29b64a10952b77910c407272
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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