HRID1564050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10932675

2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H21BO2

结构：CCCCc1nc(C)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460053

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)c(C2=CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bdc616256704961a5e17ed0544a1ee3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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