HRID2134833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8002

1-Bromobutane

C4H9Br

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID69767

4-(Trifluoromethyl)benzophenone

C14H9F3O

HCID88359

1-(Methoxymethyl)-1H-imidazole

C5H8N2O

HCID3028194

Lithium

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COCn1ccnc1C(O)(c1ccccc1)c1ccc(C(F)(F)F)cc1

HCID12433896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d1ef59ed88a407cbf27e36880d10dbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:7]([Br:8])[CH2:9][CH2:10][CH3:11].[CH3:12][O:13][CH2:14][n:15]1[cH:16][n:17][cH:18][cH:19]1.[CH3:20][N:21]([CH2:22][CH2:23][N:24]([CH3:25])[CH3:26])[CH3:27].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1)([F:44])[F:45].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[Li:6].[O:46]=[C:47]=[O:48].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:49]>>[CH3:12][O:13][CH2:14][n:15]1[c:16]([C:34]([c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:44])[F:45])[cH:43][cH:42]2)([OH:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[n:17][cH:18][cH:19]1