HRID92317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5233013

[4-(Piperazin-1-yl)phenyl]boronic acid

C10H15BN2O2

结构：CC(C)CC(OC(c1ccc(Br)cc1)c1nccs1)C(=O)NCC#N

HCID10320044

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(OC(c1ccc(-c2ccc(N3CCNCC3)cc2)cc1)c1nccs1)C(=O)NCC#N

HCID10391401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73e991fa6bab4c1481abdfbf39e97e2a
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]([CH:8]([O:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][C:15]#[N:16])[CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[s:22][cH:23][cH:24][n:25]2)[cH:6][cH:7]1.[N:26]1([c:32]2[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]2)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:37][cH:36]2)[cH:3][cH:4][c:5]([CH:8]([O:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][C:15]#[N:16])[CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[s:22][cH:23][cH:24][n:25]2)[cH:6][cH:7]1