HRID2341579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID82225511

未命名化合物

PRODUCTS

生成物

HCID86642513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-549d76a99abc43318f118526a84d14ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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