HRID2350087

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：CC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)n2c1CCC2C(=O)NCc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

HCID178466970

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)n2c1CCC2C(=O)NCc1ccc(C(=N)N)cc1

HCID23568488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3634bd25b26947f593b13c5ade660e4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[c:12](=[O:43])[n:13]2[c:17]([c:18]([C:20]([CH3:21])=[O:22])[cH:19]1)[CH2:16][CH2:15][CH:14]2[C:23]([NH:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([C:32](=[NH:33])[NH:34][C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[cH:30][cH:31]1)=[O:42])=[O:44].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[c:12](=[O:43])[n:13]2[c:17]([c:18]([C:20]([CH3:21])=[O:22])[cH:19]1)[CH2:16][CH2:15][CH:14]2[C:23]([NH:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([C:32](=[NH:33])[NH2:34])[cH:30][cH:31]1)=[O:42])=[O:44]