HRID314501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5784

2,5-Dichlorobenzoic acid

C7H4Cl2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID66849322

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1

HCID86597217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-126508fd766640b08d1360391f586c3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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