HRID143470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10262831

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid

C12H14N2O2

HCID14134574

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(C)cc(C(=O)NC(CC(=O)NOCc3ccccc3)Cc3ccccc3)cc2[nH]1

HCID178439898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e780ac565a034c6cb1d8e7a32531aaaf
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

[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[OH:16])[cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:11][CH2:12][CH3:13])[nH:10]2.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:57][CH2:58][Cl:59].[NH2:17][CH:18]([CH2:19][C:20](=[O:21])[NH:22][O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH3:1][c:2]1[cH:3][c:4]([C:14](=[O:16])[NH:17][CH:18]([CH2:19][C:20](=[O:21])[NH:22][O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:11][CH2:12][CH3:13])[nH:10]2