HRID106143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67218384

未命名化合物

结构：CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)ccc1C(F)(F)F

HCID86607113

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(S(=O)(=O)NCCO)sc4Cl)c3n2)ccc1C(F)(F)F

HCID11997757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1f2abb66fc7470ba7eb9d1b812cbe2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6](-[c:14]2[n:15][c:16]3[n:17]([c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]2)[n:24][cH:25][c:26]3[C:27](=[O:28])[OH:29])[cH:7][cH:8][c:9]1[C:10]([F:11])([F:12])[F:13].[OH:30][CH2:31][CH2:32][NH:33][S:34](=[O:35])(=[O:36])[c:37]1[s:38][c:39]([Cl:43])[c:40]([NH2:42])[cH:41]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6](-[c:14]2[n:15][c:16]3[n:17]([c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]2)[n:24][cH:25][c:26]3[C:27](=[O:28])[NH:42][c:40]2[c:39]([Cl:43])[s:38][c:37]([S:34]([NH:33][CH2:32][CH2:31][OH:30])(=[O:35])=[O:36])[cH:41]2)[cH:7][cH:8][c:9]1[C:10]([F:11])([F:12])[F:13]