HRID175776

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+

HCID67087789

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1cccc2c(=O)n(C(C(N)=O)c3ccccc3)ccc12)c1ccc(Cl)cc1

HCID75952135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b448e34a6f4e42a79c8b32c50ba5e942
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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