HRID667136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8148

N-Butyl-1-butanamine

C8H19N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc2c(C(=O)C(C)(C)C)nn(CC(=O)O)c2c1

HCID57675531

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21

HCID10453694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75a197d4fd534ab599a6b557daa607f5
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

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