HRID694635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2735708

4-(1H-pyrazol-3-yl)benzoic acid

C10H8N2O2

结构：COC(=O)c1c(CN)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208428

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(CNC(=O)c2ccc(-c3ccn[nH]3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef41bf41c2c9418f8b10b9767678abf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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