HRID956579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CBr)cc1

HCID57925962

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(C#N)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)OC(C)(C)C)cc1

HCID57925835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-989841b17b8540cfa29af05438502d60
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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