HRID176233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CN1C2CCC1CC(N1c3ccccc3Oc3cc(C(=O)O)ccc31)C2

HCID59814733

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2C

HCID11697111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e29fbbafa5a418294175a9cf254558c
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

[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:8][N:9]1[CH:10]2[CH2:11][CH:12]([N:17]3[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[O:24][c:25]4[cH:26][c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][c:30]43)[CH2:13][CH:14]1[CH2:15][CH2:16]2.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:8][N:9]1[CH:10]2[CH2:11][CH:12]([N:17]3[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[O:24][c:25]4[cH:26][c:27]([C:31](=[O:32])[N:60]([CH2:59][CH3:58])[CH2:61][CH3:62])[cH:28][cH:29][c:30]43)[CH2:13][CH:14]1[CH2:15][CH2:16]2