HRID161321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)OC(=O)CCCOc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)OCC[Si](C)(C)C

HCID68603265

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCCOc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)O

HCID68602802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-501b93c29a6d454ebe11e8b01dfcce4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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