HRID298406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID82577

Dibenzosuberenol

C15H12O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2c3ccccc3C=Cc3ccccc32)CC1

HCID68420841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34bb9a43ad5849528c20255479de1857
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

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