HRID2136738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID144255

4-Fluoro-3-(trifluoromethyl)benzonitrile

C8H3F4N

HCID2736323

3-Bromo-5-fluorobenzotrifluoride

C7H3BrF4

HCID178418339

Butyllithium

C4H9Li

HCID178507042

未命名化合物

PRODUCTS

生成物

结构：NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

HCID24828509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-298820f4bffb4e17836649411b7eac30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[Mg+:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:13][CH2:14][CH2:15][CH2:16][Li:17].[CH3:31][Si:32]([Cl:33])([CH3:34])[CH3:35].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[Cl-:36].[ClH:50].[F:18][c:19]1[c:20]([C:27]([F:28])([F:29])[F:30])[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1>>[c:2]1([C:23]([c:22]2[cH:21][c:20]([C:27]([F:28])([F:29])[F:30])[c:19]([F:18])[cH:26][cH:25]2)([NH2:24])[CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:3][c:4]([F:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1