HRID95864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID231278

4-[(anilinocarbonyl)amino]benzoic acid

C14H12N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1

HCID46511620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ff87dfec03f461e9035b92056200155
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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