HRID681856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2783055

3-fluoro-4-(4-methylpiperazin-1-yl)aniline

C11H16FN3

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)c(F)c2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b392dbfe298a40709b471b1a7c7381b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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.[F:34][c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][c:41]1[N:42]1[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]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:38][c:37]5[cH:36][c:35]([F:34])[c:41]([N:42]6[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]6)[cH:40][cH:39]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