HRID942542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：CCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3c(c2)C(=CO)C(=O)N3)cc1

HCID178463062

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3c(c2)C(=CNc2ccc(N4CCN(C)CC4)cc2)C(=O)N3)cc1

HCID178463061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2fe74d9794b4c55ac0068ef4995f9ae
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[CH2:41][CH2:42]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[OH:1][CH:2]=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]4[n:23]([CH2:28][CH3:29])[n:24][c:25]([CH3:27])[cH:26]4)[cH:17][cH:18]3)[cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]4[n:23]([CH2:28][CH3:29])[n:24][c:25]([CH3:27])[cH:26]4)[cH:17][cH:18]3)[cH:10][c:11]21)[NH:49][c:46]1[cH:45][cH:44][c:43]([N:40]2[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]2)[cH:48][cH:47]1