HRID2151361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7962

Methylcyclohexane

C7H14

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID350491

2,2,2-Trifluoro-N,N-dimethylacetamide

C4H6F3NO

结构：CCOC(C)n1cnc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

HCID20406085

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(C)n1c(C(=O)C(F)(F)F)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

HCID13127290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fc6ad6458af4aa1a45549538cc17bf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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