HRID158165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2736329

N-[2-(Piperazin-1-yl)ethyl]-N-propylpropan-1-amine

C12H27N3

结构：O=C(O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

HCID66941911

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCN1CCN(C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1

HCID21084418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9322ae3b6ef4414989e81158b5bcb5cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:49]([CH2:50][CH3:51])[N:52]([CH2:53][CH2:54][N:55]1[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1)[CH2:61][CH2:62][CH3:63].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1.[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[nH:10][cH:11][cH:12][n:13]2)[CH2:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[nH:10][cH:11][cH:12][n:13]2)[CH2:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[N:58]3[CH2:57][CH2:56][N:55]([CH2:54][CH2:53][N:52]([CH2:49][CH2:50][CH3:51])[CH2:61][CH2:62][CH3:63])[CH2:60][CH2:59]3)[cH:22][cH:23]2)[n:3][cH:4][cH:5]1