HRID670776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6441

2,2,3,3-Tetrafluoro-1-propanol

C3H4F4O

HCID8003

Pentane

C5H12

HCID8857

Ethyl acetate

C4H8O2

HCID31347

Sulfolane

C4H8O2S

HCID166653

Hydride

H-

结构：COc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1

HCID22572630

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCC(F)(F)C(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1

HCID22572642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d0c339430df47dd985492e368ec01f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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