HRID1550392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID64354

Adamantanine

C11H17NO2

结构：COc1cccc(OC)c1-c1cc(C(=O)Cl)nn1-c1cccc2cnccc12

HCID18926658

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1cccc2cnccc12

HCID18926655

2-{[1-(5-Isoquinolyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]carbonylamino}-2-adamantanecarboxylic acid

C32H32N4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc601258ecfd42cc86c039532b239ecf
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

[Cl:49][CH2:50][Cl:51].[NH2:1][C:2]1([C:12](=[O:13])[OH:14])[CH:3]2[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]1[CH2:10]3)[CH2:11]2.[cH:15]1[n:16][cH:17][cH:18][c:19]2[c:20](-[n:25]3[n:26][c:27]([C:40](=[O:41])[Cl:42])[cH:28][c:29]3-[c:30]3[c:31]([O:38][CH3:39])[cH:32][cH:33][cH:34][c:35]3[O:36][CH3:37])[cH:21][cH:22][cH:23][c:24]12.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[NH:1]([C:2]1([C:12](=[O:13])[OH:14])[CH:3]2[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]1[CH2:10]3)[CH2:11]2)[C:40]([c:27]1[n:26][n:25](-[c:20]2[c:19]3[cH:18][cH:17][n:16][cH:15][c:24]3[cH:23][cH:22][cH:21]2)[c:29](-[c:30]2[c:31]([O:38][CH3:39])[cH:32][cH:33][cH:34][c:35]2[O:36][CH3:37])[cH:28]1)=[O:41]