HRID115692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：O=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID11451428

1H-Imidazole-4-propanal, 1-(triphenylmethyl)-

C25H22N2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID57141126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec45d2eef05648459d58ce31cf4998c2
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

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