HRID1212857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

反应SMILES：Cc1c(C(CC(C)C)Nc2ccc(C(=O)O)cc2)oc2ccc(Cl)cc12

HCID66777168

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)CCNC(=O)c1ccc(NC(CC(C)C)c2oc3ccc(Cl)cc3c2C)cc1

HCID66778857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-566a424309dc4d94908419ea91639508
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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