HRID281066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID676391

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID19039044

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

HCID19039042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eb66149f9b3430c85e05e9b737f22e7
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

[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH2:9]([CH2:10][CH3:11])[CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:16][CH2:17]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][N:6]([CH3:7])[CH3:8].[CH3:34][CH2:35][CH2:36][CH2:37][Li:38].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[F:47][n+:48]1[c:49]([CH3:50])[cH:51][c:52]([CH3:53])[cH:54][c:55]1[CH3:56].[S:39]([O-:40])([C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46]>>[CH2:9]([CH2:10][CH3:11])[CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]([F:43])[c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:16][CH2:17]1