HRID681690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID16773111

[(4-Bromophenyl)methyl]hydrazine

C7H9BrN2

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OCc1ccccc1)C(=O)NNCc1ccc(Br)cc1

HCID178449707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3e4c20ade9b4fb3a18df2997910f01e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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