HRID111626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID3421110

2-Bromo-N-(5-chloro-2-pyridinyl)acetamide

C7H6BrClN2O

结构：CCOCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12

HCID86595882

未命名化合物

PRODUCTS

生成物

结构：CCOCCOc1cccc2c1nc(C(=O)NC1CCN(C(C)C)CC1)n2CC(=O)Nc1ccc(Cl)cn1

HCID67011761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-553e0514865e4bbca817db16f04b733e
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

[Br:28][CH2:29][C:30](=[O:31])[NH:32][c:33]1[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1.[CH3:40][C:41](=[O:42])[O-:43].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:11](=[O:12])[c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][cH:19][cH:20][c:21]3[O:22][CH2:23][CH2:24][O:25][CH2:26][CH3:27])[CH2:8][CH2:9]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:11](=[O:12])[c:13]2[n:14][c:15]3[c:16]([n:17]2[CH2:29][C:30](=[O:31])[NH:32][c:33]2[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]2)[cH:18][cH:19][cH:20][c:21]3[O:22][CH2:23][CH2:24][O:25][CH2:26][CH3:27])[CH2:8][CH2:9]1