HRID1549962

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

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

HCID4641409

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

C10H15N6O+

结构：CCOc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

HCID68685349

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

HCID68683813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b7723073cbe4ee0b4c8862a85c3ff05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]1[NH:13][c:14]1[n:15][cH:16][c:17]2[c:23]([n:24]1)[N:22]([CH:25]([CH3:26])[CH3:27])[CH2:21][CH2:20][C:19](=[O:28])[N:18]2[CH3:29].[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[NH2:54][CH:55]1[CH2:56][CH2:57][N:58]([CH3:61])[CH2:59][CH2:60]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[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>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:54][CH:55]2[CH2:56][CH2:57][N:58]([CH3:61])[CH2:59][CH2:60]2)[cH:10][cH:11][c:12]1[NH:13][c:14]1[n:15][cH:16][c:17]2[c:23]([n:24]1)[N:22]([CH:25]([CH3:26])[CH3:27])[CH2:21][CH2:20][C:19](=[O:28])[N:18]2[CH3:29]