HRID680824

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(C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC

HCID23499989

未命名化合物

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(C(=CC#N)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC

HCID69203070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4a62db4d1a24f4cb1377b45c511c1a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:27]([O:28][P:29](=[O:30])([O:31][CH2:32][CH3:33])[CH2:35][C:36]#[N:37])[CH3:34].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:1][O:2][c:3]1[c:4]([C:13](=[O:14])[c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:38][Si:39]([N-:40][Si:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Li+:47].[O:48]1[c:49]2[cH:50][cH:51][c:52]([C:53]([c:54]3[cH:55][c:56]([O:57][CH3:58])[cH:59][c:60]([O:61][CH3:62])[cH:63]3)=[CH:64][C:65]#[N:66])[cH:67][c:68]2[O:69][CH2:70][CH2:71]1>>[CH3:1][O:2][c:3]1[c:4]([C:13]([c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)=[CH:35][C:36]#[N:37])[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]