HRID69509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2F)C1

HCID20725688

未命名化合物

HCID66679924

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N3CCc4cc(OC[C@@H]5CCCO5)ccc4C3=O)cc2F)C1

HCID86635108

未命名化合物

PROCEDURE

实验过程

[(R)-1-(4-Amino-2-fluoro-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester was reacted with 6-[(S)-1-(Tetrahydro-furan-2-yl)methoxy]-isochroman-1-one by method AC. The product with the molecular weight of 525.63 (C29H36FN3O5) was obtained in this way; MS (ESI): 526 (M+H+).

WORKUP

后处理

customThe product with the molecular weight of 525.63 (C29H36FN3O5) was obtained in this way

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34bec340643a4d7cbbeb2dadd5067aa9
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08822495B2
来源说明: uspto-grants-2014_09

反应 SMILES

[C:1]([O:5][C:6](=[O:21])[NH:7][C@@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:18]=[CH:17][C:16]([NH2:19])=[CH:15][C:14]=2[F:20])[CH2:9]1)([CH3:4])([CH3:3])[CH3:2].[O:22]1[CH2:26][CH2:25][CH2:24][C@H:23]1[CH2:27][O:28][C:29]1[CH:30]=[C:31]2[C:36](=[CH:37][CH:38]=1)[C:35](=O)[O:34][CH2:33][CH2:32]2>>[C:1]([O:5][C:6](=[O:21])[NH:7][C@@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:33][CH2:32][C:31]4[C:36](=[CH:37][CH:38]=[C:29]([O:28][CH2:27][C@@H:23]5[CH2:24][CH2:25][CH2:26][O:22]5)[CH:30]=4)[C:35]3=[O:34])=[CH:15][C:14]=2[F:20])[CH2:9]1)([CH3:4])([CH3:2])[CH3:3]