HRID2133853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

HCID22236496

未命名化合物

PRODUCTS

生成物

结构：CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

HCID22236502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-488a59f1e52c42e8b76c647504165c54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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