HRID310431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID3280088

未命名化合物

结构：COc1cc(OC)cc(C(=O)c2cc(OC)cc(OC)c2)c1

HCID21609692

Bis(3,5-dimethoxyphenyl)methanone

C17H18O5

结构：COc1cc(OC)cc(C(=CC#N)c2ccc3c(c2)OCCO3)c1

HCID69203215

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)cc(C(=CC#N)c2cc(OC)cc(OC)c2)c1

HCID10064880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6af1afce2f2b4d179a7573cbfaf85cd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:23]([O:24][P:25](=[O:26])([O:27][CH2:28][CH3:29])[CH2:31][C:32]#[N:33])[CH3:30].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11](=[O:12])[c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[cH:18]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:34][Si:35]([N-:36][Si:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Li+:43].[O:44]1[c:45]2[cH:46][cH:47][c:48]([C:49]([c:50]3[cH:51][c:52]([O:53][CH3:54])[cH:55][c:56]([O:57][CH3:58])[cH:59]3)=[CH:60][C:61]#[N:62])[cH:63][c:64]2[O:65][CH2:66][CH2:67]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[cH:18]2)=[CH:31][C:32]#[N:33])[cH:6][c:7]([O:9][CH3:10])[cH:8]1