HRID1213544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID5200321

2-(Piperidin-4-yl)propan-2-ol

C8H17NO

HCID58405009

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)C1CCN(C(=O)c2ccc3nc(Cl)nc(N4CCOCC4)c3n2)CC1

HCID58404959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a630341a898647f0a738f27411fd6168
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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