HRID818725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID23130515

未命名化合物

HCID58387889

未命名化合物

PRODUCTS

生成物

结构：Nc1nc2[nH]ccc2cc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID58388004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eea8665a6484de38bc3190bc8c43513
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:2][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[NH2:12])[nH:13][cH:14][cH:15]2)[CH3:3].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:66][CH2:67][OH:68].[Na+:17].[O:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][c:62]([CH2:64][NH2:65])[s:63]1.[OH-:16].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]([CH3:36])[CH3:37])([N:38]([CH3:39])[CH3:40])[N:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:4](=[O:5])([c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[NH2:12])[nH:13][cH:14][cH:15]2)[NH:65][CH2:64][c:62]1[cH:61][cH:60][c:59]([O:52][c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[s:63]1