HRID158940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID643502

n-boc-4-hydroxypiperidine

C10H19NO3

结构：COc1ccc(Cn2ccc3cc(F)c(-c4ccccc4)cc3c2=O)cc1

HCID57652547

6-Fluoro-2-[(4-methoxyphenyl)methyl]-7-phenylisoquinolin-1(2H)-one

C23H18FNO2

PRODUCTS

生成物

结构：COc1ccc(Cn2ccc3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(-c4ccccc4)cc3c2=O)cc1

HCID57652576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2471a8c919274855a337ce019c8178e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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