HRID144360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(C)CCCC(C)C1=CCC2C3CC=C4C(C)(C)C(OC(=O)c5ccccc5)CCC4(C)C3CCC12C

HCID178442575

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1C2OC2C2C3CC=C4C(C)(C)C(OC(=O)c5ccccc5)CCC4(C)C3CCC12C

HCID178442562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b52fbc89ca0346b68e2668fa08171781
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[C:11]([CH3:37])([CH3:38])[C:12]2=[CH:13][CH2:14][CH:15]3[CH:16]4[CH2:17][CH:18]=[C: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.[CH3:52][OH:53].[Cl:54][CH2:55][Cl:56].[Na+:51].[OH-:50].[OH:39][O:40][C:41]([c:42]1[cH:43][c:44]([Cl:45])[cH:46][cH:47][cH:48]1)=[O:49]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[C:11]([CH3:37])([CH3:38])[C:12]2=[CH:13][CH2:14][CH:15]3[CH:16]4[CH:17]5[CH: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)[O:39]5