HRID1120938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45791582

Methyl 1-piperidin-4-ylprolinate

C11H20N2O2

结构：Nc1c(Cl)cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID66941885

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCCN1C1CCN(C(=O)C(Cc2cc(Cl)c(N)c(C(F)(F)F)c2)OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)CC1

HCID66941466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b292a8972cdf4a43afd4f1873bc352a2
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

[CH3:39][O:40][C:41](=[O:42])[CH:43]1[N:44]([CH:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]2)[CH2:45][CH2:46][CH2:47]1.[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:35][cH:36][cH:37][cH:38]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:31])[c:23]([NH2:30])[c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[C:32](=[O:33])[OH:34])[CH2:13][CH2:14]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:35][cH:36][cH:37][cH:38]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:31])[c:23]([NH2:30])[c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[C:32](=[O:34])[N:51]2[CH2:50][CH2:49][CH:48]([N:44]3[CH:43]([C:41]([O:40][CH3:39])=[O:42])[CH2:47][CH2:46][CH2:45]3)[CH2:53][CH2:52]2)[CH2:13][CH2:14]1