HRID1221109

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(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nn23)c1

HCID66711792

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCNCC5)cc4)nn23)c1

HCID66711924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03bb48fe97ce49d8b711714d1cfca029
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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