HRID307515

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

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

结构：CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC21C

HCID178442664

未命名化合物

PRODUCTS

生成物

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

HCID2738130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5132ac3483f04dc1a135dd037ef77fa8
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

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