HRID153002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7283

2-Methylbutylamine

C5H13N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1

HCID11220119

未命名化合物

PRODUCTS

生成物

结构：CCC(C)CNC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1

HCID21078777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56e14a6f23e94b24954f6efd1fbbfb66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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