HRID69519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11208

Oxirane, 2,2-dimethyl-

C4H8O

结构：COc1cc(-n2ccc3cc(OC[C@@H]4CCCO4)ccc3c2=O)ccc1N1CCCNCC1

HCID68991377

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccc3cc(OC[C@@H]4CCCO4)ccc3c2=O)ccc1N1CCCN(CC(C)(C)O)CC1

HCID57916616

未命名化合物

PROCEDURE

实验过程

Reaction of 2-(4-[1,4]Diazepan-1-yl-3-methoxy-phenyl)-6-[(S)-1-(tetrahydro-furan-2-yl)methoxy]-2H-isoquinolin-1-one and 2,2-Dimethyl-oxirane by method U resulted in the desired product with the molecular weight 521.66 (C30H39N3O5); MS (ESI): 522 (M+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b281c3b373154aa1a23ec1e6f11a12a2
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

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