HRID203722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID67924

Ethyl trifluoromethanesulphonate

C3H5F3O3S

结构：CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1ccc([N+](=O)[O-])cc1C(F)(F)F

HCID59603033

未命名化合物

PRODUCTS

生成物

结构：CCOc1nccc2c1C(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C(C)=O)=C(C)N2

HCID59603016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b2850e5dd1d455283bf650a2a4157c4
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

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