HRID113541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14996960

未命名化合物

结构：CC(=O)C1CC(C(=O)OC(C)(C)C)NC1c1ccccc1

HCID86751901

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc2cccc(C)c2)C1c1ccccc1

HCID86751900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f2de9cdf80243799509cbb50ce233b5
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

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