HRID667947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID67055351

3-[Bromo(4-chlorophenyl)methyl]benzonitrile

C14H9BrClN

HCID67065893

3-[1-(3,5-Difluorophenyl)-2,2-dimethylpropylidene]azetidine

C14H17F2N

PRODUCTS

生成物

结构：CC(C)(C)C(=C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1

HCID11374665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c02e95fa920f48e8a6f1be4e190138dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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