HRID139407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734595

3-methylbenzenesulfonyl Chloride

C7H7ClO2S

结构：COc1cc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc2c1OC(C)(C)C2

HCID67363308

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C2(C)C)cc2c1OC(C)(C)C2

HCID46204004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bca68712b184dfaa8b3033adc3daf13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([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:6][c:7]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8]2.[CH3:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:32][cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([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:6][c:7]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8]2