HRID696919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID102525

2-(4-Chlorophenyl)propionic acid

C9H9ClO2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：NC(=O)C(c1ccc(Cl)cc1)n1ccc2c(N)cccc2c1=O

HCID59515880

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1cccc2c(=O)n(C(C(N)=O)c3ccc(Cl)cc3)ccc12)c1ccc(Cl)cc1

HCID67087995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f477100f6414cd7a56686a4295e2f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[CH3:45][N+:46]([CH3:47])=[C:48]([N:49]([CH3:50])[CH3:51])[O:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:62][c:63]1[cH:64][cH:65][c:66]([CH:69]([C:70](=[O:71])[OH:72])[CH3:73])[cH:67][cH:68]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:70]([CH:69]([c:66]1[cH:65][cH:64][c:63]([Cl:62])[cH:68][cH:67]1)[CH3:73])=[O:71]