HRID1113914

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：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OCc1ccccc1

HCID66616512

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C2(C)C)cc1OCc1ccccc1

HCID67365063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fee92bbb59a5471f8a6e6e960f39bcf0
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]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([C:18]2=[N:22][N:21]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[C:20](=[O:29])[C:19]2([CH3:30])[CH3:31])[cH:13][cH:14][c:15]1[O:16][CH3:17].[CH3:32][c:33]1[cH:34][c:35]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:36][cH:37][cH:38]1.[ClH:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([C:18]2=[N:22][N:21]([CH:23]3[CH2:24][CH2:25][N:26]([S:39]([c:35]4[cH:34][c:33]([CH3:32])[cH:38][cH:37][cH:36]4)(=[O:40])=[O:41])[CH2:27][CH2:28]3)[C:20](=[O:29])[C:19]2([CH3:30])[CH3:31])[cH:13][cH:14][c:15]1[O:16][CH3:17]