HRID116899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N4CCSCC4)cc3NC(=O)OC(C)(C)C)c2)on1

HCID86586979

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C3=Nc4cc(N5CCSCC5)c(C(F)(F)F)cc4NC(=O)C3)c2)on1

HCID18548733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7a9ebbfefbf4cf9a79e687d0282961c
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

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