HRID164107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

结构：CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID2769618

1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

C16H26BN3O2

结构：CCNc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2c1ccn2C(C)C

HCID67468520

未命名化合物

PRODUCTS

生成物

结构：CCNc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1ccn2C(C)C

HCID67467617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeb25e4ce493404b85315cd4ac79ef8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:28])[nH:20][c:21]([CH3:27])[cH:22][c:23]2[NH:24][CH2:25][CH3:26])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1.[C:51](=[O:52])([OH:53])[O-:54].[CH3:29][N:30]1[CH2:31][CH2:32][N:33]([c:36]2[n:37][cH:38][c:39]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:40][cH:41]2)[CH2:34][CH2:35]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[Na+:55].[OH2:62]>>[c:2]1(-[c:39]2[cH:38][n:37][c:36]([N:33]3[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]3)[cH:41][cH:40]2)[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:28])[nH:20][c:21]([CH3:27])[cH:22][c:23]2[NH:24][CH2:25][CH3:26])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1