HRID1143900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID344373

5-Aminopyrimidine

C4H5N3

HCID4641409

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

C10H15N6O+

结构：CCc1ccc(Nc2noc3c(C(=O)O)c(Cl)ccc23)cc1

HCID59805814

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)cc1

HCID25069284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e64e7c30d55b499b9f1b81f5fb0b2bfb
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

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