HRID98052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNCc3ccncc3)ccc21

HCID68672802

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(Cc3ccncc3)C(=O)Cc3cccnc3)ccc21

HCID68674448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f9398ffa59342ddb3f63d86435afc8d
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

[CH2:28]([CH3:29])[N:30]1[c:31]2[c:32]([cH:42][c:43]([O:46][CH2:47][CH2:48][CH2:49][NH:50][CH2:51][c:52]3[cH:53][cH:54][n:55][cH:56][cH:57]3)[cH:44][cH:45]2)[N:33]([CH3:41])[C:34](=[O:40])[C:35]([CH3:38])([CH3:39])[C:36]1=[O:37].[CH3:69][S:70](=[O:71])(=[O:72])[OH:73].[Cl:74][CH2:75][Cl:76].[ClH:58].[OH2:77].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:59]1[cH:60][c:61]([CH2:65][C:66](=[O:67])[OH:68])[cH:62][cH:63][cH:64]1.[n:8]1([O:9][P+:10]([N:11]([CH3:12])[CH3:13])([N:14]([CH3:15])[CH3:16])[N:17]([CH3:18])[CH3:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[CH2:28]([CH3:29])[N:30]1[c:31]2[c:32]([cH:42][c:43]([O:46][CH2:47][CH2:48][CH2:49][N:50]([CH2:51][c:52]3[cH:53][cH:54][n:55][cH:56][cH:57]3)[C:66]([CH2:65][c:61]3[cH:60][n:59][cH:64][cH:63][cH:62]3)=[O:67])[cH:44][cH:45]2)[N:33]([CH3:41])[C:34](=[O:40])[C:35]([CH3:38])([CH3:39])[C:36]1=[O:37]