HRID943699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID166653

Hydride

H-

结构：O=C(N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1)C(F)(F)F

HCID12085941

1-[3,4-Dihydro-6-hydroxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2(1H)-isoquinolinyl]-2,2,2-trifluoroethanone

C23H25F3N2O3

PRODUCTS

生成物

结构：O=C(N1CCc2cc(OCc3ccccc3)ccc2C1c1ccc(OCCN2CCCC2)cc1)C(F)(F)F

HCID18172385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e57021b5a7641909fbc971f7a3178d3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[F:1][C:2]([C:3](=[O:4])[N:5]1[CH:6]([c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][N:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:20][cH:21]2)[c:7]2[cH:8][cH:9][c:10]([OH:15])[cH:11][c:12]2[CH2:13][CH2:14]1)([F:30])[F:31].[H-:33].[Na+:32].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[F:1][C:2]([C:3](=[O:4])[N:5]1[CH:6]([c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][N:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:20][cH:21]2)[c:7]2[cH:8][cH:9][c:10]([O:15][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:11][c:12]2[CH2:13][CH2:14]1)([F:30])[F:31]