HRID2140228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2777215

2-(Trifluoromethoxy)benzenesulfonyl chloride

C7H4ClF3O3S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)C(=O)C2(C)C)cc1OC

HCID46202724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e704fd6a964c49749eab9a1ef08c80c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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