HRID1117194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2783677

Benzyl N-(4-aminobutyl)carbamate

C12H18N2O2

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：O=C(NCCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)OCc1ccccc1

HCID10481632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a5b36fe363f422cbed49e768f95df82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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