HRID1217527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(N2CCN(c3ccc(-n4cn[nH]c4=O)cc3)CC2)cc1

HCID4246597

2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one

C19H21N5O2

HCID11217879

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3ccc(-n4cnn(C(C)C5(c6ccc(F)cc6F)CO5)c4=O)cc3)CC2)cc1

HCID178491964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-954bd0a03cc74e4cb33c0fb55248dd32
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

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