HRID1151584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19709

3,3-Dimethylbutylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(c1ccccc1)N(Cc1ccccc1)C(CC(=O)O)C1CCCCC1

HCID67023646

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N(Cc1ccccc1)C(CC(=O)NCCC(C)(C)C)C1CCCCC1

HCID67023712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c8e5814b4fe4083a33d14777cf863c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]([CH:16]([CH2:17][C:18](=[O:19])[OH:20])[CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)[CH:27]([CH3:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:1][C:2]([CH2:3][CH2:4][NH2:5])([CH3:6])[CH3:7].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][C:2]([CH2:3][CH2:4][NH:5][C:18]([CH2:17][CH:16]([N:15]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:27]([CH3:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)=[O:19])([CH3:6])[CH3:7]