HRID187728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(=O)OC1CCC2(C)C(CCC3=C4C(=O)CC(C(C)CCCC(F)(C(F)(F)F)C(F)(F)F)C4(C)CCC32)C1

HCID178475342

未命名化合物

PRODUCTS

生成物

结构：CC(CCCC(F)(C(F)(F)F)C(F)(F)F)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC21C

HCID178444235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44a1ed7dbbd4a8785ae1cfa001844c0
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

[C:1](=[O:2])([CH3:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][C:10]3=[C:11]4[C:12](=[O:39])[CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH2:18][C:19]([C:20]([F:21])([F:22])[F:23])([C:24]([F:25])([F:26])[F:27])[F:28])[CH3:29])[C:30]4([CH3:38])[CH2:31][CH2:32][CH:33]3[C:34]2([CH3:37])[CH2:35][CH2:36]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:53][OH:54].[K+:44].[K+:45].[OH2:52]>>[OH:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][C:10]3=[C:11]4[C:12](=[O:39])[CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH2:18][C:19]([C:20]([F:21])([F:22])[F:23])([C:24]([F:25])([F:26])[F:27])[F:28])[CH3:29])[C:30]4([CH3:38])[CH2:31][CH2:32][CH:33]3[C:34]2([CH3:37])[CH2:35][CH2:36]1