HRID159874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID9005

Trimethoxymethane

C4H10O3

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC=C(C)CO

HCID53749693

未命名化合物

PRODUCTS

生成物

结构：COCC(C)=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

HCID54330017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7f3669e40b8452fb2f6985c59b0c83d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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