HRID1125504

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

HCID597164

2-Methoxy-4-methylbenzoic acid

C9H10O3

HCID4641409

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

C10H15N6O+

HCID58268019

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)ccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12

HCID44540223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-448f0fbf521a4577a8807d29af63e90c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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