HRID1574914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8471

Triethylamine

C6H15N

HCID24295

Pentafluorophosphorane

F5P

HCID4641409

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

C10H15N6O+

结构：CC(Oc1cc(-c2cnn(C(C)C(=O)O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID58659144

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-c2cnn(C(C)C(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID67084418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cce5c44da08649a4bb70bfbfe0596e56
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

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