HRID196830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID43811203

2-Benzyloctahydro-4H-isoindol-4-one

C15H19NO

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC2CN(Cc3ccccc3)CC21

HCID86750777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ca6667df9da46708b702c2a94bfaf40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[N:28]1[CH2:29][CH:30]2[CH2:31][CH2:32][CH2:33][C:34](=[O:37])[CH:35]2[CH2:36]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[F:1][C:2]([c:3]1[cH:4][c:5]([Br:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15].[Li:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:34]2([OH:37])[CH2:33][CH2:32][CH2:31][CH:30]3[CH2:29][N:28]([CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:36][CH:35]32)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]