HRID1117582

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

HCID19660

Carbonate

CO3-2

HCID2734658

(Bromomethyl)cyclobutane

C5H9Br

结构：CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2sccn12

HCID67549495

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)c2OCC2CCC2)nc2sccn12

HCID67549159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7206866b71fe4a0bab4547546b851ed0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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