HRID122832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67264065

未命名化合物

结构：CN(C)S(=O)(=O)c1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1Cl

HCID86633938

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)CCC(C)(C)c2ccc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4S(=O)(=O)N(C)C)n3)cc21

HCID66830209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caadca4d295f4cb19df403dd7f096664
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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