HRID1151880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID4574913

未命名化合物

结构：COc1ccc(COCC(=O)c2ncc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)s2)cc1

HCID57477638

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COCC(=CC#N)c2ncc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)s2)cc1

HCID66597652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31ed662809e34ba98a89ce1b96151c9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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