HRID319009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782719

4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C14H9F3O2

结构：Cc1c(N(C)C(=O)C(F)(F)F)nc2ccc([N+](=O)[O-])cn12

HCID23120531

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N(C)C(=O)C(F)(F)F)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12

HCID23120508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-562b64bced4147a88b4f30119ba3b7df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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