HRID143049

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

HCID13985218

2-(Bromomethyl)-6-fluoropyridine

C6H5BrFN

结构：O=C(NC1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1)OCc1ccccc1

HCID57431664

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCc2c(c3cc(OC(F)(F)F)ccc3n2Cc2cccc(F)n2)C1)OCc1ccccc1

HCID59161299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6178c05ff4d4d3cac8c64bb68766525
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

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