HRID200428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N1CCCC1CC(=O)N2C

HCID178492738

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N1CCCC1CC(=O)N2C

HCID68739727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca6a634f2e7f43148765213434af4a71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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