HRID86192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C(=O)NCc1cccc(F)c1Cl)C(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc(-c2cccc(F)c2)on1

HCID66622358

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)NCc1cccc(F)c1Cl)C(CCC(=O)N1CCNCC1)COC(=O)Nc1cc(-c2cccc(F)c2)on1

HCID66622069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19ba29da132d486bb67f5a1aa0cbe487
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

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