HRID191738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7891

1-Bromo-3-methylbutane

C5H11Br

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2ccccn12

HCID67549111

未命名化合物

结构：CC(C)(C)COc1c(C=Cc2nc3sccn3c2C(=O)O)cccc1OC(F)F

HCID68407347

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2OCCC(C)C)nc2ccccn12

HCID123808855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4af129ae6e2b4d8089e1241e962a0162
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:28][CH2:29][CH2:30][CH:31]([CH3:32])[CH3:33].[C:34](=[O:35])([O-:36])[O-:37].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[F:1][CH:2]([O:3][c:4]1[c:5]([OH:26])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[n:15]([cH:16][cH:17][cH:18][cH:19]3)[c:20]2[C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:7][cH:8][cH:9]1)[F:27].[F:40][CH:41]([F:42])[O:43][c:44]1[c:45]([O:46][CH2:47][C:48]([CH3:49])([CH3:50])[CH3:51])[c:52]([CH:53]=[CH:54][c:55]2[n:56][c:57]3[n:58]([c:59]2[C:60]([OH:61])=[O:62])[cH:63][cH:64][s:65]3)[cH:66][cH:67][cH:68]1.[K+:38].[K+:39]>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:26][CH2:29][CH2:30][CH:31]([CH3:32])[CH3:33])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[n:15]([cH:16][cH:17][cH:18][cH:19]3)[c:20]2[C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:7][cH:8][cH:9]1)[F:27]