HRID94288

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

HCID89599

2-(Bromomethyl)benzonitrile

C8H6BrN

HCID104967

Cesium(1+)

Cs+

2 次

PRODUCTS

生成物

HCID57949637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f60d8b7432aa462bbc9d7d13edeb4caf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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