HRID2330444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5811

3,5-Dichlorobenzoic acid

C7H4Cl2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID178418300

未命名化合物

结构：CC(C)(C)NC(=O)C1CCCCC1CC(O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O

HCID178449288

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)C1CCCCC1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1cc(Cl)cc(Cl)c1

HCID178449286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2b0e9f3dbb64b638d192460572ca3db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:56]1([N:57]=[C:58]=[N:59][CH:60]2[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]2)[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[Cl:34][c:35]1[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][c:42]([Cl:44])[cH:43]1.[NH2:1][CH:2]([CH2:3][C:4]([NH2:5])=[O:6])[C:7](=[O:8])[NH:9][CH:10]([CH:11]([CH2:12][CH:13]1[CH:14]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16][CH2:17][CH2:18]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH2:45].[OH:46][c:47]1[c:48]2[n:49][n:50][nH:51][c:52]2[cH:53][cH:54][cH:55]1>>[NH:1]([CH:2]([CH2:3][C:4]([NH2:5])=[O:6])[C:7](=[O:8])[NH:9][CH:10]([CH:11]([CH2:12][CH:13]1[CH:14]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16][CH2:17][CH2:18]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[C:38]([c:37]1[cH:36][c:35]([Cl:34])[cH:43][c:42]([Cl:44])[cH:41]1)=[O:39]