HRID309112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2)CC1

HCID5233014

4-(4-BOC-Piperazino)phenylboronic acid

C15H23BN2O4

HCID178446306

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C(=O)NCC#N

HCID178446318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b85871d62ad43a884007b59f0c3bfd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][C:13]#[N:14])[CH2:15][CH:16]([CH3:17])[CH3:18])[cH:19][cH:20]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([c:34]2[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([N:31]3[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]3)[cH:39][cH:38]2)[cH:3][cH:4][c:5]([CH2:6][NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][C:13]#[N:14])[CH2:15][CH:16]([CH3:17])[CH3:18])[cH:19][cH:20]1