HRID158631

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

HCID88579

2-Pyridinamine, 5-iodo-

C5H5IN2

HCID4641409

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

C10H15N6O+

HCID58447644

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(CC(=O)Nc3ccc(I)cn3)cc2)ccn1

HCID58447796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99ac3c4300594d9eaf13029fa0907899
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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