HRID666972

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)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460377

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(OC3CCC3)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d795fb091f48b0b37b2a1fa932db9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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