HRID105708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1

HCID25160740

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

HCID25059487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d102afba3c324d0b92986a1c4ace20d7
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:30]([CH3:31])[CH3:32])[c:10]([C:18](=[O:19])[NH:20][CH2:21][c:22]2[cH:23][c:24]([F:29])[c:25]([F:28])[cH:26][cH:27]2)[c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][c:16]12.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[I:39][CH2:40][CH3:41].[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:30]([CH3:31])[CH3:32])[c:10]([C:18](=[O:19])[NH:20][CH2:21][c:22]2[cH:23][c:24]([F:29])[c:25]([F:28])[cH:26][cH:27]2)[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:40][CH3:41])[cH:15][c:16]12