HRID153863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID31738

4-Benzylpiperidine

C12H17N

HCID130500

未命名化合物

HCID22350191

6-Hydroxy-1H-indole-2-carboxylic acid

C9H7NO3

PRODUCTS

生成物

结构：O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1

HCID9797767

(4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone

C21H22N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d97d85e4d924f829987c5b7c90e9d20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[OH:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[OH:13])[nH:8][c:9]2[cH:10]1.[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>>[OH:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([C:11](=[O:13])[N:31]3[CH2:30][CH2:29][CH:28]([CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:33][CH2:32]3)[nH:8][c:9]2[cH:10]1