HRID944491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21934652

tert-Butyl 4-[(methylamino)methyl]piperidine-1-carboxylate

C12H24N2O2

HCID59186792

未命名化合物

PRODUCTS

产物

反应SMILES：CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccnc(-c2ccncc2)n1

HCID11501854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-29700e7b0fcf43c499838aadc1e1d161
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:17][c:18]1[n:19][c:20](-[c:24]2[cH:25][cH:26][n:27][cH:28][cH:29]2)[n:21][cH:22][cH:23]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][CH3:16])[CH2:12][CH2:13]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([CH3:16])[c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][n:27][cH:28][cH:29]3)[n:21][cH:22][cH:23]2)[CH2:12][CH2:13]1