HRID1144793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2734595

3-methylbenzenesulfonyl Chloride

C7H7ClO2S

结构：CCOc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OCC

HCID66616550

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C2(C)C)cc1OCC

HCID67363337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e2639f5d57d459897d3ae195c0da132
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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