HRID683884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID66831

Dimethyl 5-aminoisophthalate

C10H11NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID55029873

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)cc(C(=O)OC)c1

HCID59583399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93923ebe42ee4348b7373d2ce909d69d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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