HRID670925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)O

HCID68868338

未命名化合物

结构：Cc1noc(C(N)Cc2cccc(-c3ccc(F)c(Cl)c3)c2)n1

HCID69207125

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)NC(Cc1cccc(-c2ccc(F)c(Cl)c2)c1)c1nc(C)no1

HCID178488566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a76376861de45c59f70d35beb783335
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:25][O:26][c:27]1[c:28]([C:43](=[O:44])[OH:45])[cH:29][c:30](-[c:33]2[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]2)[cH:31][cH:32]1.[Cl:2][c:3]1[cH:4][c:5](-[c:10]2[cH:11][c:12]([CH2:16][CH:17]([c:18]3[n:19][c:20]([CH3:23])[n:21][o:22]3)[NH2:24])[cH:13][cH:14][cH:15]2)[cH:6][cH:7][c:8]1[F:9].[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5](-[c:10]2[cH:11][c:12]([CH2:16][CH:17]([c:18]3[n:19][c:20]([CH3:23])[n:21][o:22]3)[NH:24][C:43]([c:28]3[c:27]([O:26][CH3:25])[cH:32][cH:31][c:30](-[c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[cH:29]3)=[O:44])[cH:13][cH:14][cH:15]2)[cH:6][cH:7][c:8]1[F:9]