HRID109327

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

HCID118342

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid

C9H7F3O2

HCID4641409

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

C10H15N6O+

HCID66649149

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(=O)n(C(C)C(N)=O)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)cc1

HCID66648886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47da3d4c2a01422fa238daa8fffd7ce9
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

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