HRID1217843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID4546342

2-tert-Butoxycarbonylamino-3-pyridin-2-yl-propionic acid

C13H18N2O4

HCID14152056

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(C)C(NC(=O)C(Cc2ccccn2)NC(=O)OC(C)(C)C)C(=O)OC)c2cc(Cl)ccc21

HCID178462550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ea2f6936e494eb894f26cdd4d7e8ccd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[NH:28][CH:29]([CH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1)[C:37](=[O:38])[OH:39].[CH2:40]([Cl:41])[Cl:42].[CH3:1][O:2][C:3]([CH:4]([NH2:5])[CH:6]([c:7]1[cH:8][n:9]([CH2:17][CH3:18])[c:10]2[cH:11][cH:12][c:13]([Cl:16])[cH:14][c:15]12)[CH3:19])=[O:20]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:37]([CH:29]([NH:28][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1)=[O:38])[CH:6]([c:7]1[cH:8][n:9]([CH2:17][CH3:18])[c:10]2[cH:11][cH:12][c:13]([Cl:16])[cH:14][c:15]12)[CH3:19])=[O:20]