HRID163655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID136186

2-Bromo-1,1-difluoroethane

C2H3BrF2

结构：CC(=O)NC(Cc1cccc(O)c1)C(O)C1COC(OCC2(C)CCCC2)CN1C(=O)OC(C)(C)C

HCID77514712

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(Cc1cccc(OCC(F)F)c1)C(O)C1COC(OCC2(C)CCCC2)CN1C(=O)OC(C)(C)C

HCID72477973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c391dd804744427ab0528370cf0ffd19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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