HRID203803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

结构：COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID67824

Methyl perfluorooctanoate

C9H3F15O2

HCID12304501

Isoxazoline

C3H5NO

结构：CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID12603809

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluorononan-2-one

C9H3F15O

PRODUCTS

生成物

结构：O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID4983346

9H,9H-Triacontafluoro-8,10-heptadecanedione

C17H2F30O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae2ef8b528584cadbe8400fb061ab4dc
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

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