HRID1116707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

HCID12417

2,2-Dimethylpropanal

C5H10O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

反应SMILES：COc1ccc2oc(C(=O)C(C)(C)C)c(C)c2c1

HCID28826242

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc2oc(C(=O)C(C)(C)C)c(CC(O)C(C)(C)C)c2c1

HCID57804473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0182b0a67daa45a884852947530a60f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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