HRID1210635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：CC(C)n1nccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CO)c1

HCID178456638

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(N3CCN(C)CC3)cc2)c1

HCID178456637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f57da01730840b7a81404a1a0869a62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:37][N:38]1[CH2:39][CH2:40][N:41]([c:44]2[cH:45][cH:46][c:47]([NH2:50])[cH:48][cH:49]2)[CH2:42][CH2:43]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[OH:1][CH:2]=[C:3]1[C:4](=[O:31])[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]([CH:28]([CH3:29])[CH3:30])[n:25][cH:26][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:31])[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]([CH:28]([CH3:29])[CH3:30])[n:25][cH:26][cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:50][c:47]1[cH:46][cH:45][c:44]([N:41]2[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]2)[cH:49][cH:48]1