HRID1115591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID11244775

Tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

C14H20BrN3O2

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

HCID69850026

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1

HCID69895399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbf6ad46ed154c9b90d18825a72a4cfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][N:7]([c:8]2[n:9][cH:10][c:11](-[c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[cH:19][n:20]2)[CH2:21][CH2:22]1)=[O:23])([CH3:24])([CH3:25])[CH3:26].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([c:40]2[n:41][cH:42][c:43]([Br:46])[cH:44][cH:45]2)[CH2:38][CH2:39]1.[Cl:47][c:48]1[cH:49][cH:50][c:51]([B:54]([OH:55])[OH:56])[cH:52][cH:53]1>>[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([c:40]2[n:41][cH:42][c:43](-[c:51]3[cH:50][cH:49][c:48]([Cl:47])[cH:53][cH:52]3)[cH:44][cH:45]2)[CH2:38][CH2:39]1