HRID682593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15851047

未命名化合物

结构：COC(=O)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1

HCID23291151

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(C(=O)NCCc2cncn2Cc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)C1

HCID23291205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e74700879b124c93a84884fcab5daca3
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:17](=[O:18])[O:19][CH3:20])[CH2:11][CH:12]([C:14](=[O:15])[OH:16])[CH2:13]1.[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([CH2:27][n:28]2[cH:29][n:30][cH:31][c:32]2[CH2:33][CH2:34][NH2:35])[cH:36][cH:37]1.[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:17](=[O:18])[O:19][CH3:20])[CH2:11][CH:12]([C:14](=[O:16])[NH:35][CH2:34][CH2:33][c:32]2[n:28]([CH2:27][c:26]3[cH:25][cH:24][c:23]([C:21]#[N:22])[cH:37][cH:36]3)[cH:29][n:30][cH:31]2)[CH2:13]1