HRID1221781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1

HCID86638587

未命名化合物

PRODUCTS

生成物

结构：Nc1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1

HCID86638588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f84033f8d3724a55b790970e1dac73cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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