HRID1554942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID137214

4-Iodophenylacetic acid

C8H7IO2

HCID4641409

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

C10H15N6O+

HCID28411689

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(I)cc3)nc2)CC1

HCID58447861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2773e8d838f5408aa49e56444e347caf
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

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