HRID320289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID21531

Triisopropyl orthoborate

C9H21BO3

结构：CCCCCC1CCC(c2ccc(-c3cccc(F)n3)cc2)CC1

HCID19046952

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCCC1CCC(c2ccc(-c3ccc(O)c(F)n3)cc2)CC1

HCID19046962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17521277c8b94089a331736efa35b26d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B:37]([O:38][CH:47]([CH3:48])[CH3:49])([O:39][CH:40]([CH3:41])[CH3:42])[O:43][CH:44]([CH3:45])[CH3:46].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:52].[ClH:50].[F:13][c:14]1[n:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]3[CH2:27][CH2:28][CH:29]([CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1.[Na+:51].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[F:13][c:14]1[n:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]3[CH2:27][CH2:28][CH:29]([CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[cH:17][cH:18][c:19]1[OH:38]