HRID299157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID54116619

Ethyl (5-bromopyridin-3-yl)acetate

C9H10BrNO2

结构：CC(C)(C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

HCID67212685

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cncc(-c2ccc(C(=O)NC(C)(C)C)cc2CN(Cc2ccccc2)C(=O)C2CC2)c1

HCID67212635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9982cc2639f9431aa1fa57aaa1a25b7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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