HRID314699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID1275951

Benzaldehyde, 4-(1,1-dimethylethyl)-, oxime

C11H15NO

结构：COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86597401

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCCON=Cc2ccc(C(C)(C)C)cc2)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID91283165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a473c8e31434401994fa7907b3a08a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([CH3:36])[c:37]1[cH:38][cH:39][c:40]([CH:41]=[N:42][OH:43])[cH:44][cH:45]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:8][cH:9]1)=[O:32].[CH3:52][C:53](=[O:54])[CH3:55].[Cs+:50].[Cs+:51]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:43][N:42]=[CH:41][c:40]2[cH:39][cH:38][c:37]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:45][cH:44]2)[cH:8][cH:9]1)=[O:32]