HRID1567978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID409683

(RS)-Valine methyl ester

C6H13NO2

结构：Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3Cl)cc2)nc1C(N)=O

HCID49847173

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1)C(C)C

HCID67285876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0047ee289c5c45bc9ad49b42eb83f0cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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