HRID668968

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(N4CCC4)cc3NC(=O)OC(C)(C)C)c2)on1

HCID86586845

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C3=Nc4cc(N5CCC5)c(C(F)(F)F)cc4NC(=O)C3)c2)on1

HCID18613129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-481fd107c3cb4156a75a0c2667629429
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

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