HRID680662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID10220561

3-{3-[(Piperidin-1-yl)methyl]phenoxy}propan-1-amine

C15H24N2O

HCID19762494

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1)CCC(c1ccc(Cl)cc1)c1ccccn1

HCID19762572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d67efd57ba244e0b95a68443053e21fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:24](=[O:25])([n:26]1[cH:27][cH:28][n:29][cH:30]1)[n:31]1[cH:32][cH:33][n:34][cH:35]1.[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH3:54][OH:55].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH2:16])[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[N:36]1([CH2:42][c:43]2[cH:44][c:45]([O:46][CH2:47][CH2:48][CH2:49][NH2:50])[cH:51][cH:52][cH:53]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:24](=[O:25])[NH:50][CH2:49][CH2:48][CH2:47][O:46][c:45]2[cH:44][c:43]([CH2:42][N:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[cH:53][cH:52][cH:51]2)[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1