HRID210670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

结构：O=C(Cl)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

HCID22480358

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

HCID9825542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-823c3f25e8e64187b9079ee56e3683f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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