HRID1557873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID69861

4-tert-Butylaniline

C10H15N

HCID74115

Benzoic acid, 4-amino-3-nitro-

C7H6N2O4

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1

HCID8779856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f49343d1c4d41358c62790843e5cfee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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