HRID206525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59135100

未命名化合物

HCID66603399

未命名化合物

PRODUCTS

产物

HCID66602898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-698b752d06634fb684e2aa2e54dd2b9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br:52][c:53]1[n:54][c:55]([C:61](=[CH2:62])[CH3:63])[cH:56][cH:57][c:58]1[O:59][CH3:60].[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1.[C:64](=[O:65])([O-:66])[O-:67].[CH2:76]1[O:77][CH2:78][CH2:79][O:80][CH2:81]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cs+:68].[Cs+:69].[OH2:82]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:53]3[n:54][c:55]([C:61](=[CH2:62])[CH3:63])[cH:56][cH:57][c:58]3[O:59][CH3:60])[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1