HRID284461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID9161545

4-(4-Isopropylpiperazin-1-yl)aniline

C13H21N3

结构：CCS(=O)(=O)c1ncc(C(=O)c2ccccc2OC)c(N)n1

HCID11961965

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(=O)c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)nc1N

HCID21070469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67c4f48a1bf7416ab4749762e89825f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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