HRID1142109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID888

Magnesium cation

Mg+2

HCID8471

Triethylamine

C6H15N

HCID8900

Heptane

C7H16

HCID31374

Dimethylacetamide

C4H9NO

HCID115301

5-Hydroxy-4-methylfuran-2(5H)-one

C5H6O3

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID164726

未命名化合物

PRODUCTS

生成物

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O

HCID5538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49979056334d43aa875f62efdfe01708
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

[CH3:16][C:17](=[CH:18][CH2:19][P+:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH:39]=[CH:40][C:41]1=[C:42]([CH3:49])[CH2:43][CH2:44][CH2:45][C:46]1([CH3:47])[CH3:48].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][N:61]([CH3:62])[C:63](=[O:64])[CH3:65].[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl-:50].[Cl-:52].[Mg+2:51].[OH:1][CH:2]1[C:3]([CH3:8])=[CH:4][C:5](=[O:7])[O:6]1>>[CH:2]([C:3](=[CH:4][C:5]([OH:6])=[O:7])[CH3:8])=[CH:19][CH:18]=[C:17]([CH3:16])[CH:39]=[CH:40][C:41]1=[C:42]([CH3:49])[CH2:43][CH2:44][CH2:45][C:46]1([CH3:47])[CH3:48]