HRID1559882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID14917

Hydrogen fluoride

3 次

结构：O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID67814

Perfluorobutanesulfonyl fluoride

C4F10O2S

HCID81531

Diisopropylethylamine

C8H19N

2 次

结构：CC(C)(C)OC(=O)N1CCC(COC(CO)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1

HCID57545941

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COC(CF)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1

HCID57545990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99d18eeb6e7c43d9ac5421e3110a2dc1
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

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