HRID91445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：COc1cc(C(=O)O)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253679

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7523530b3fe34360b2345740a1f1ff55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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