HRID185187

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

HCID4641409

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

C10H15N6O+

HCID10921653

未命名化合物

HCID59314181

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cccc(C)c2C(=O)C(C)C)Cc2ccccc2C1

HCID59314272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-426519042a434ae5827619a6c9034f2e
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

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