HRID698224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID114942

Titanium(4+)

Ti+4

HCID539832

1-(3-Methoxy-2-pyrazinyl)ethanone

C7H8N2O2

HCID2724942

未命名化合物

HCID3260420

未命名化合物

4 次

HCID22248125

未命名化合物

PRODUCTS

生成物

结构：COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1

HCID22248424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04fe1c2bbf4a428e808892c9b28e1d11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:18]([CH3:19])(=[O:20])[c:21]1[n:22][cH:23][cH:24][n:25][c:26]1[O:27][CH3:28].[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:49][CH2:50][OH:51].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:56][CH:57]([CH3:58])[O-:59].[CH3:60][CH:61]([CH3:62])[O-:63].[CH3:64][CH:65]([CH3:66])[O-:67].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[ClH:1].[F:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:5][cH:6][cH:7][cH:8]1.[Na+:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[Ti+4:68]>>[F:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[c:21]3[n:22][cH:23][cH:24][n:25][c:26]3[O:27][CH3:28])[CH2:16][CH2:17]2)[cH:5][cH:6][cH:7][cH:8]1