HRID956570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID13033202

5-Methyl-1,2-oxazol-4-amine

C4H6N2O

结构：Cc1ccc(C(=O)O)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O

HCID66918819

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cnoc2C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O

HCID11997016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9958fa85acf947bd8b521ae449296809
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[ClH:29].[NH2:30][c:31]1[cH:32][n:33][o:34][c:35]1[CH3:36].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:7])[NH:30][c:31]2[cH:32][n:33][o:34][c:35]2[CH3:36])[cH:9][cH:10]1