HRID306301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

结构：CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCNC(=O)OC(C)(C)C)nn3c2)c1

HCID66815312

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCN)nn3c2)c1

HCID49820609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cde7bc77b4b448cc99156b2eed00e800
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[n:19]([cH:20]2)[n:21][c:22]([NH:24][C:25]([NH:26][CH2:27][CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[n:23]3)[cH:12][n:13][cH:14]1.[Cl:38][CH2:39][Cl:40].[ClH:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[n:19]([cH:20]2)[n:21][c:22]([NH:24][C:25]([NH:26][CH2:27][CH2:28][NH2:29])=[O:37])[n:23]3)[cH:12][n:13][cH:14]1