HRID1237714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID308

3-Phenylprop-2-En-1-Ol

C9H10O

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCCN(CCC)CCCCN(CC(=O)O)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

HCID11540944

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCN(CC(=O)OCC=Cc1ccccc1)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

HCID67103573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40a5b1eab2594b159508097cfd88c6b7
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

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