HRID120086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID10433

Cyclohexane-1,3-diol

C6H12O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID519028

Methyl 2,6-dimethylbenzoate

C10H12O2

HCID4574913

未命名化合物

HCID10263795

未命名化合物

HCID21980307

2-(Bromomethyl)-6-methylbenzoyl bromide

C9H8Br2O

PRODUCTS

生成物

HCID21980299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a960614945b34562a2b66fbfc5a1610f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:15][CH2:16][c:17]1[c:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]([CH3:27])[cH:24][cH:25][cH:26]1.[Br:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][c:34]([CH3:35])[c:36]1[C:37]([Br:38])=[O:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][c:45]([CH3:46])[c:47]1[C:48]([O:49][CH3:50])=[O:51].[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH3:9][C:10]([CH3:11])([O-:12])[CH3:13].[CH:1]1([OH:8])[CH2:2][CH:3]([OH:7])[CH2:4][CH2:5][CH2:6]1.[K+:14].[OH2:59]>>[CH:1]1([O:8][CH2:16][c:17]2[c:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]([CH3:27])[cH:24][cH:25][cH:26]2)[CH2:2][CH:3]([OH:7])[CH2:4][CH2:5][CH2:6]1