HRID832486

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

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

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：CCOC(=O)CCNC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1

HCID59627636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d238d54523c14afdbfe0adcb0c73c4dd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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