HRID294284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6389

Trichlorofluoromethane

CCl3F

HCID7416

Nitrobenzene

C6H5NO2

HCID78989

Hypofluorous acid, trifluoromethyl ester

CF4O

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC12CCC(OC(=O)C(F)(F)F)CC1CCC1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC12

HCID20574215

未命名化合物

PRODUCTS

生成物

结构：CC12CCC3(F)C(CCC4CC(OC(=O)C(F)(F)F)CCC43C)C1CCC2OC(=O)C(F)(F)F

HCID178421181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ed3e9ccd39d4ffc9c0fa24d79c0258d
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

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