HRID115897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID16778205

3-[2-(Dimethylamino)ethoxy]aniline

C10H16N2O

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F

HCID59513717

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)C(F)(F)F)c4)nn4ccccc34)n2)c1

HCID86631085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f46f244ac68c4898bdc91535b54eb70a
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

[CH3:30][N:31]([CH2:32][CH2:33][O:34][c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][cH:41]1)[CH3:42].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:44][CH2:45][Cl:46].[ClH:43]>>[c:2]1([NH:38][c:37]2[cH:36][c:35]([O:34][CH2:33][CH2:32][N:31]([CH3:30])[CH3:42])[cH:41][cH:40][cH:39]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1