HRID1200465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CCC(NC(=O)OC(C)(C)C)C(O)C(=N)NO

HCID178458005

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(NC(=O)OC(C)(C)C)C(O)C(=N)NOC(=O)c1ccccc1

HCID178458006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0621f53cd40d4de6a0762e84707a8a66
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

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