HRID194070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl

HCID46738287

未命名化合物

结构：CCN1C(=O)C(NC(=O)C2CC2)CCc2c1ccc(N)c2OC

HCID67264091

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)C(NC(=O)C2CC2)CCc2c1ccc(Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n1)c2OC

HCID66830080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f0a1d085cd24163a8200fe6f7553d65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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