HRID106247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

结构：Cc1cc(C(=O)C(C)c2ccc(Oc3ccc(C#N)cc3)cc2Cl)ccn1

HCID66699032

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(O)(C(C)c2ccc(Oc3ccc(C#N)cc3)cc2Cl)C(F)(F)F)ccn1

HCID66699175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2e1320dd3ed44b5919914a5a43eafb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:13]([N+:14]([CH2:15][CH2:16][CH2:17][CH3:18])([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[Cl:30][c:31]1[cH:32][c:33]([O:34][c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[cH:43][cH:44][c:45]1[CH:46]([C:47](=[O:48])[c:49]1[cH:50][c:51]([CH3:55])[n:52][cH:53][cH:54]1)[CH3:56].[F-:12].[F:1][C:2]([F:3])([F:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[OH2:10].[OH2:11].[OH2:9]>>[F:1][C:2]([F:3])([F:4])[C:47]([CH:46]([c:45]1[c:31]([Cl:30])[cH:32][c:33]([O:34][c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[cH:43][cH:44]1)[CH3:56])([OH:48])[c:49]1[cH:50][c:51]([CH3:55])[n:52][cH:53][cH:54]1