HRID189663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID21975027

N~1~-[3-(4-Methylpiperazin-1-yl)propyl]benzene-1,4-diamine

C14H24N4

结构：Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4=CO)c2)n(C)n1

HCID178426964

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4=CNc3ccc(NCCCN4CCN(C)CC4)cc3)c2)n(C)n1

HCID178426957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02fb51456df24f1aa67c95d139441f36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:31][N:32]1[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][CH2:40][NH:41][c:42]2[cH:43][cH:44][c:45]([NH2:48])[cH:46][cH:47]2)[CH2:36][CH2:37]1.[OH:1][CH:2]=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[n:24]([CH3:29])[n:25][c:26]([CH3:28])[cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[n:24]([CH3:29])[n:25][c:26]([CH3:28])[cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:48][c:45]1[cH:44][cH:43][c:42]([NH:41][CH2:40][CH2:39][CH2:38][N:35]2[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]2)[cH:47][cH:46]1