HRID307100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID62386

Cyclohexylamine, N-isopropyl-

C9H19N

HCID103826

2,6-Dimethyloct-7-en-2-yl acetate

C12H22O2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：C=CC(C)CCCC(C)(C)OC(=O)CC(=O)c1ccc(OC)cc1

HCID21932492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1cc2878cc1d4b43af1b2e7f74f91b85
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:16]([CH3:17])(=[O:18])[O:19][C:20]([CH3:21])([CH2:22][CH2:23][CH2:24][CH:25]([CH:26]=[CH2:27])[CH3:28])[CH3:29].[CH2:11]([Li:12])[CH2:13][CH2:14][CH3:15].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40]1.[CH:1]([NH:2][CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1)([CH3:9])[CH3:10].[ClH:41].[OH2:47]>>[C:16]([CH2:17][C:36]([c:35]1[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:40][cH:39]1)=[O:37])(=[O:18])[O:19][C:20]([CH3:21])([CH2:22][CH2:23][CH2:24][CH:25]([CH:26]=[CH2:27])[CH3:28])[CH3:29]