HRID2319237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID10921653

未命名化合物

HCID23359229

3-Cyano-2-methylbenzoic acid

C9H7NO2

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cccc(C#N)c2C)Cc2ccccc2C1

HCID59314291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9ed2d35096841ec94df677c9fc5690d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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