HRID86707

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

HCID23079200

未命名化合物

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)Cc1ccc(N(C)C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)cc1

HCID10436483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4ea79b0bae3480ba628e1432955c3e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:49]([CH2:50][CH3:51])[N:52]([CH2:53][CH2:54][CH3:55])[CH2:56][c:57]1[cH:58][cH:59][c:60]([NH:63][CH3:64])[cH:61][cH:62]1.[CH:34]1([N:35]=[C:36]=[N:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]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>>[n: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:63]([c:60]3[cH:59][cH:58][c:57]([CH2:56][N:52]([CH2:49][CH2:50][CH3:51])[CH2:53][CH2:54][CH3:55])[cH:62][cH:61]3)[CH3:64])[cH:22][cH:23]2)[nH:3][cH:4][cH:5]1