HRID1152963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

结构：COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1

HCID66841346

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(Cc5ccccc5)CC4)cc23)cc1

HCID66841881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-547fb5acb6a34b28b3c6d80db86f8d53
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

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