HRID1544983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID49820155

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(F)(c2ccc(C=NO)cc2)C1

HCID76661477

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(F)(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)cc2)C1

HCID78146950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-109bd068a49a450b812e623523ac3722
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:45](=[O:46])([OH:47])[O-:48].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[Cl:30][c:31]1[c:32]([Cl:44])[c:33]([Cl:43])[cH:34][c:35]([C:37]([C:38]([F:39])([F:40])[F:41])=[CH2:42])[cH:36]1.[F:1][C:2]1([c:13]2[cH:14][cH:15][c:16]([CH:19]=[N:20][OH:21])[cH:17][cH:18]2)[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1.[K+:49].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[F:1][C:2]1([c:13]2[cH:14][cH:15][c:16]([C:19]3=[N:20][O:21][C:37]([c:35]4[cH:34][c:33]([Cl:43])[c:32]([Cl:44])[c:31]([Cl:30])[cH:36]4)([C:38]([F:39])([F:40])[F:41])[CH2:42]3)[cH:17][cH:18]2)[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1