HRID204318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2761177

3,3,3-Trifluoropropane-1-sulfonyl chloride

C3H4ClF3O2S

结构：COc1cc(O)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID25015624

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OS(=O)(=O)CCC(F)(F)F)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID24891729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7245c3496f5e497a8066c9c434b2e6d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:50]([Cl:51])[Cl:52].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[F:33][C:34]([CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[Cl:40])([F:41])[F:42].[OH:1][c:2]1[cH:3][c:4]([O:31][CH3:32])[c:5](-[c:8]2[c:9]([CH2:21][O:22][C:23](=[O:24])[c:25]3[s:26][c:27]([CH3:30])[cH:28][cH:29]3)[c:10]3[c:15]([cH:16][cH:17]2)[NH:14][C:13]([CH3:18])([CH3:19])[CH:12]=[C:11]3[CH3:20])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][c:4]([O:31][CH3:32])[c:5](-[c:8]2[c:9]([CH2:21][O:22][C:23](=[O:24])[c:25]3[s:26][c:27]([CH3:30])[cH:28][cH:29]3)[c:10]3[c:15]([cH:16][cH:17]2)[NH:14][C:13]([CH3:18])([CH3:19])[CH:12]=[C:11]3[CH3:20])[cH:6][cH:7]1)[S:37]([CH2:36][CH2:35][C:34]([F:33])([F:41])[F:42])(=[O:38])=[O:39]