HRID175402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID97826

2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

C11H13NO2

HCID1512646

1-[(tert-Butoxycarbonyl)amino]cyclobutane-1-carboxylic acid

C10H17NO4

PRODUCTS

产物

HCID72437198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4b613dfd48f941cfa40173f5a4871477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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