HRID138023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16733784

(Piperazin-1-yl)[2-(trifluoromethyl)phenyl]methanone

C12H13F3N2O

HCID60859189

6-Chloro-N-[2-(4-methoxyphenyl)ethyl]-3-pyridazinecarboxamide

C14H14ClN3O2

PRODUCTS

生成物

结构：COc1ccc(CCNC(=O)c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)cc1

HCID16035661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d10fce37943e4f4887261ea5c7096f0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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