HRID302827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

反应SMILES：Cc1ccc(Oc2cccc3[nH]c(C(=O)O)cc23)cc1

HCID66841347

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(Oc2cccc3[nH]c(C(=O)NC4CCN(Cc5ccccc5)CC4)cc23)cc1

HCID86613489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b19e0c80d3814d759af29310d1347f6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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