HRID91621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID53167

1-Methylpiperazine

C5H12N2

结构：O=C(NC1N=C(c2ccccc2)c2ccccc2N(CCBr)C1=O)c1cc2ccccc2[nH]1

HCID20097467

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCN2C(=O)C(NC(=O)c3cc4ccccc4[nH]3)N=C(c3ccccc3)c3ccccc32)CC1

HCID14800325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb3beff488f64a22810c88c8193c567d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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