HRID1558416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1

HCID11360909

Phenyl[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

C23H14F3NO

结构：CC(C)(C)c1ccc(-c2c(C(=O)c3ccccn3)cnc3c(C(F)(F)F)cccc23)cc1

HCID11453296

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2c(Cc3ccccn3)cnc3c(C(F)(F)F)cccc23)cc1

HCID66913205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9f4285b8594425887adf5f17adb132e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([C:25](=[O:26])[c:27]3[n:28][cH:29][cH:30][cH:31][cH:32]3)[cH:13][n:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][c:20]23)[cH:9][cH:10]1.[c:33]1([C:34]([c:35]2[cH:36][n:37][c:38]3[c:39]([c:40]2-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][c:50]3[C:51]([F:52])([F:53])[F:54])=[O:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([CH2:25][c:27]3[n:28][cH:29][cH:30][cH:31][cH:32]3)[cH:13][n:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][c:20]23)[cH:9][cH:10]1