HRID121078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID16778205

3-[2-(Dimethylamino)ethoxy]aniline

C10H16N2O

结构：Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn4ccccc4c3-c3ccnc(Cl)n3)c2)c1F

HCID86618785

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn4ccccc4c3-c3ccnc(Nc4cccc(OCCN(C)C)c4)n3)c2)c1F

HCID11621459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b29b549b0764e1c9d61f7baffc2d4ee
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

[CH3:49][CH:50]([OH:51])[CH3:52].[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]4[c:26]([F:33])[c:27]([CH3:32])[cH:28][cH:29][c:30]4[F:31])=[O:34])[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:53][CH2:54][Cl:55].[ClH:48].[NH2:35][c:36]1[cH:37][c:38]([O:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[cH:39][cH:40][cH:41]1>>[c:2]1([NH:35][c:36]2[cH:37][c:38]([O:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[cH:39][cH:40][cH:41]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]4[c:26]([F:33])[c:27]([CH3:32])[cH:28][cH:29][c:30]4[F:31])=[O:34])[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