HRID171853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：CCCCCC(C=Cc1ccc(C(=O)OC)cc1)c1ccc2c(c1)OCCC2(C)C

HCID69214969

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCC(C=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCC2(C)C

HCID69216898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-03a3be6227774c03aad73b61d4286999
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

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