HRID91822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78110

Bromocyclobutane

C4H7Br

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCc1nc(C)n(-c2ccc(O)c(F)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460691

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(OC3CCC3)c(F)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b782e29dbd4439297f828a2e5901102
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:35][CH:36]1[CH2:37][CH2:38][CH2:39]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cs+:44].[Cs+:45].[F:1][c:2]1[cH:3][c:4](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:5][cH:6][c:7]1[OH:8].[OH2:57]>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:5][cH:6][c:7]1[O:8][CH:36]1[CH2:37][CH2:38][CH2:39]1