HRID2145542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID60027522

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(C(=O)Nc1ncc(Cc2cccnc2OC)s1)c1ccccc1

HCID58033033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-56d869f09b904e59bf7bed52b08e403f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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