HRID1118388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2c1ccc(OCCN2CCCC2)cc1

HCID12085940

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7642fa60a3d540f69165a99c81b12daf
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

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