HRID89009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1738

Homovanillic acid

C9H10O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID485395

Benzenemethanamine, N-hexyl-

C13H21N

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(OC)c1

HCID68872097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02bc2dce6dfb40e0b66f71ee3f65c2a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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