HRID168386

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

HCID239604

5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C11H12O2

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)c2cccc3c2CCCC3)Cc2ccc(F)cc2C1

HCID59314124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acba0e8f2c5a4cdf9b6dcbb6a7968f2d
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

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