HRID1131847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2c(C#CCO[Si](C)(C)C(C)(C)C)nn3C2CCCCO2)CC1

HCID69244062

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2c(C#CCO)nn3C2CCCCO2)CC1

HCID69246329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98d67a754be5477cbf47179aad39a543
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

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