HRID282858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67263990

未命名化合物

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

HCID86633939

未命名化合物

PRODUCTS

生成物

结构：COCC(COC)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(Cl)cc4S(=O)(=O)N(C)C)n3)c(OC)cc2CC1

HCID67263991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec83526347114d05aab39651a5745492
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

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