HRID204494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OCCC1(C#N)CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

HCID57966452

未命名化合物

PRODUCTS

生成物

结构：N#CC1(CCO)CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

HCID57966567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6920f394c38e4f51891e97f937f22db6
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

[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH2:7][CH2:8][C:9]1([C:28]#[N:29])[CH2:10][CH2:11][N:12]([c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:13][CH2:14]1)([CH3:5])([CH3:30])[CH3:31].[CH3:33][N+:34]([CH3:35])([CH3:36])[CH3:37].[F-:32].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[OH:6][CH2:7][CH2:8][C:9]1([C:28]#[N:29])[CH2:10][CH2:11][N:12]([c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:13][CH2:14]1