HRID92866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2758352

4,4-difluoropiperidine

C5H9F2N

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Br)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430328

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)(F)CC4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c06383f878aa4d6ab6dce5566e06f593
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[cH:6][n:7]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50].[F:33][C:34]1([F:40])[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[c:2]1([N:37]2[CH2:36][CH2:35][C:34]([F:33])([F:40])[CH2:39][CH2:38]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[cH:6][n:7]1