HRID830851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID13369

2-Chloroethylamine

C2H6ClN

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)O)n1

HCID59421809

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCCl)n1

HCID59421926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99778e3e603e47e2b7d91001b193021f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:74][N:75]([c:76]1[cH:77][cH:78][n:79][cH:80][cH:81]1)[CH3:82].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[cH:3][c:4]([CH3:31])[c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:28](=[O:29])[OH:30])[n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:16]2)[cH:6][cH:7]1.[Cl:56][CH2:57][CH2:58][NH2:59].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][c:2]1[cH:3][c:4]([CH3:31])[c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:28](=[O:29])[NH:59][CH2:58][CH2:57][Cl:56])[n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:16]2)[cH:6][cH:7]1