HRID939242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2759159

4-Fluoropiperidine

C5H10FN

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)CC4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e286a523b37b4a179e4ebbdd8d39d0c8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

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.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]#[N:49].[F:33][CH:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[c:2]1([N:37]2[CH2:36][CH2:35][CH:34]([F:33])[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