HRID2147210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44184874

未命名化合物

结构：CS(=O)(=O)c1ccc(OCc2ccccc2)c(C(=O)O)c1

HCID68826683

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(OCc2ccccc2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)c1

HCID69042385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f514c6b0cd9d4a39bad3b3ca2783d95a
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

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