HRID95151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID3280088

未命名化合物

结构：CCOc1cc(C(=O)c2ccc(OC)c(OCC)c2)ccc1OC

HCID69205642

Bis(3-ethoxy-4-methoxyphenyl)methanone

C19H22O5

PRODUCTS

生成物

结构：CCOc1cc(C(=CC#N)c2ccc(OC)c(OCC)c2)ccc1OC

HCID9863370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab5447b2f8047c8ae1d4f176788aaa8
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

[CH2:1]([O:2][P:3](=[O:4])([O:5][CH2:6][CH3:7])[CH2:9][C:10]#[N:11])[CH3:8].[CH2:22]([CH3:23])[O:24][c:25]1[cH:26][c:27]([C:33](=[O:34])[c:35]2[cH:36][c:37]([O:43][CH2:44][CH3:45])[c:38]([O:41][CH3:42])[cH:39][cH:40]2)[cH:28][cH:29][c:30]1[O:31][CH3:32].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:12][Si:13]([N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Li+:21].[OH2:46]>>[CH:9]([C:10]#[N:11])=[C:33]([c:27]1[cH:26][c:25]([O:24][CH2:22][CH3:23])[c:30]([O:31][CH3:32])[cH:29][cH:28]1)[c:35]1[cH:36][c:37]([O:43][CH2:44][CH3:45])[c:38]([O:41][CH3:42])[cH:39][cH:40]1