HRID1232585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4638215

6-Bromo-2,2-dimethylhexanenitrile

C8H14BrN

结构：CCc1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCCCCC(C)(C)C#N

HCID23501863

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

HCID11798175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6576af1e8665475b859b7130e52d2840
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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