HRID2342375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)c2ccc3c(c2)NC(=O)C3=CO)cc1

HCID178463085

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(N3CCN(C)CC3)cc2)cc1

HCID178463083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc380ae2f00a482b89846c4afbdb8276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:32][N:33]1[CH2:34][CH2:35][N:36]([c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[CH2:37][CH2:38]1.[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][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[n:24]([CH2:29][CH3:30])[n:25][c:26]([CH3:28])[cH:27]4)[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][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[n:24]([CH2:29][CH3:30])[n:25][c:26]([CH3:28])[cH:27]4)[cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:45][c:42]1[cH:41][cH:40][c:39]([N:36]2[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]2)[cH:44][cH:43]1