HRID98664

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

HCID67263673

未命名化合物

PRODUCTS

生成物

结构：COCCNC1CCCc2c(ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c2OC)C1

HCID67264373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b9cbb5c5984a979bebfeb88b06200a
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

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