HRID111257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID72972

4-Isopropoxybenzoic acid

C10H12O3

结构：COc1ccc(C(=O)N(C)C2CNCC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025659

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)c3ccc(OC(C)C)cc3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d83c16e704c4cb1881760845a812e13
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

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