HRID1151306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID10801170

methyl 4-[(dimethoxyphosphoryl)methyl]benzoate

C11H15O5P

结构：CCCCCC(C=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

HCID86589026

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(C=Cc1ccc(C(=O)OC)cc1)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

HCID69218095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d8f92c05a6841c294e8083affc793e7
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

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