HRID1536625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID19792765

5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-1-methyl-3-pyrazolidinone

C16H22N2O3

PRODUCTS

生成物

结构：COc1ccc(C2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1

HCID19792796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6897c925dd584e59b638bb1e1712e529
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:5][CH2:6][N:7]([CH2:8][CH3:9])[CH2:10][CH3:11].[CH:20]1([O:25][c:26]2[cH:27][c:28]([CH:34]3[CH2:35][C:36](=[O:40])[NH:37][N:38]3[CH3:39])[cH:29][cH:30][c:31]2[O:32][CH3:33])[CH2:21][CH2:22][CH2:23][CH2:24]1.[Cl:1][C:2]([Cl:3])=[O:4].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[cH:12]1[c:13]([CH2:18][NH2:19])[cH:14][cH:15][cH:16][n:17]1>>[C:2](=[O:4])([NH:19][CH2:18][c:13]1[cH:12][n:17][cH:16][cH:15][cH:14]1)[N:37]1[C:36](=[O:40])[CH2:35][CH:34]([c:28]2[cH:27][c:26]([O:25][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:31]([O:32][CH3:33])[cH:30][cH:29]2)[N:38]1[CH3:39]