HRID1142262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID4837

Piperazine

C4H10N2

HCID6342

Acetonitrile

C2H3N

HCID7096

Phenylpiperazine

C10H14N2

HCID8471

Triethylamine

C6H15N

HCID84927

Iodate ion

IO3-

HCID46855860

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCCN1CCN(c2ccccc2)CC1)(c1ccc(Br)cc1)C(C)C

HCID46186740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6790141e88874423984f015212b7ce1b
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

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