HRID283398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

结构：Cc1ccccc1OC1=CC(=O)N(C(CC(C)C)C(=O)O)C1

HCID66893910

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1OC1=CC(=O)N(C(CC(C)C)C(=O)Nc2ccn(C)n2)C1

HCID178424392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eadd658387742c09704db12be5867a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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