HRID1541534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CC(C)[Si](Oc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F)(C(C)C)C(C)C

HCID67279624

未命名化合物

结构：COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1O[Si](C(C)C)(C(C)C)C(C)C

HCID67279689

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F

HCID67278830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f4fd75e2514c80b42957f830d5013e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:101][CH2:102][C:103](=[O:104])[O:105][CH3:106].[CH3:84][CH2:85][CH2:86][CH2:87][N+:88]([CH2:89][CH2:90][CH2:91][CH3:92])([CH2:93][CH2:94][CH2:95][CH3:96])[CH2:97][CH2:98][CH2:99][CH3:100].[F-:83].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:30](=[O:31])[c:32]3[c:33]([F:40])[cH:34][c:35]([F:39])[cH:36][c:37]3[F:38])[CH:11]([c:13]3[c:14]([O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1.[F:41][c:42]1[cH:43][cH:44][c:45]([C:46]2=[N:80][N:68]([C:69]([c:70]3[c:71]([F:72])[cH:73][c:74]([F:75])[cH:76][c:77]3[F:78])=[O:79])[CH:48]([c:49]3[cH:50][cH:51][cH:52][c:53]([O:54][CH3:55])[c:56]3[O:57][Si:58]([CH:59]([CH3:60])[CH3:61])([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[S:47]2)[cH:81][cH:82]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:30](=[O:31])[c:32]3[c:33]([F:40])[cH:34][c:35]([F:39])[cH:36][c:37]3[F:38])[CH:11]([c:13]3[c:14]([O:19][CH2:102][C:103](=[O:104])[O:105][CH3:106])[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1