HRID308804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID137761

2-Fluorobenzenesulphonyl chloride

C6H4ClFO2S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID66616591

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccccc4F)CC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID46203679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05c88d529aa5465996bf1a462fe038a5
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

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