HRID192997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2759365

2-Iodo-3-methylbenzoic acid

C8H7IO2

HCID4641409

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

C10H15N6O+

HCID59314154

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccc(F)cc2C1

HCID59314207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd64653d016f44e8b6ada6b57879b2bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[C:17]1([NH2:27])[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:26])[cH:23][c:24]2[CH2:25]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[CH3:11].[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[c:3]([C:4](=[O:6])[NH:27][C:17]2([C:15]([O:14][CH2:12][CH3:13])=[O:16])[CH2:18][c:19]3[cH:20][cH:21][c:22]([F:26])[cH:23][c:24]3[CH2:25]2)[cH:7][cH:8][cH:9][c:10]1[CH3:11]