HRID305312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID16217946

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

C15H24BN3O2

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872491

未命名化合物

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(N3CCNCC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dae3efaffd14ca2a1ff33870ec85a2d
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][c:4]([N:24]([CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[CH2:31][CH3:32])[c:5]([CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH:17]([CH3:18])[CH3:19])[cH:22]1.[C:54](=[O:55])([O-:56])[O-:57].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[cH:42][cH:43][c:44]([N:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[n:45][cH:46]2)[O:53]1.[Na+:58].[Na+:59].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1>>[c:2]1(-[c:41]2[cH:42][cH:43][c:44]([N:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[n:45][cH:46]2)[cH:3][c:4]([N:24]([CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[CH2:31][CH3:32])[c:5]([CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH:17]([CH3:18])[CH3:19])[cH:22]1