HRID1554924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1061

Phosphate

O4P-3

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)C=C(n2ccc(C=O)cc2=O)c2cc(C#N)ccc2O1

HCID19092565

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(O)c1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1

HCID19092528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a121606c95743ae888307becec0774d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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