HRID170613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10199

2,3-Dihydro-1H-isoindol-1-one

C8H7NO

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID104967

Cesium(1+)

Cs+

2 次

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

PRODUCTS

生成物

HCID57949787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dd2c1b87fcd4ac7af30f0ede59d4bae
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:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1.[C:1]1(=[O:10])[NH:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[C:23](=[O:24])([O-:25])[O-:26].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cs+:27].[Cs+:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[C:1]1(=[O:10])[N:2]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21