HRID175867

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

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+

HCID59314270

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2c(F)ccc(F)c2C1

HCID59314217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27e6324e07f146419458038ea7d282f8
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([NH2:28])[CH2:18][c:19]2[c:20]([F:27])[cH:21][cH:22][c:23]([F:26])[c:24]2[CH2:25]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[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:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[I:1][c:2]1[c:3]([C:4](=[O:6])[NH:28][C:17]2([C:15]([O:14][CH2:12][CH3:13])=[O:16])[CH2:18][c:19]3[c:20]([F:27])[cH:21][cH:22][c:23]([F:26])[c:24]3[CH2:25]2)[cH:7][cH:8][cH:9][c:10]1[CH3:11]