HRID108434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7915

Isopropyl acetate

C5H10O2

HCID65809172

未命名化合物

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID67019752

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccc(C(=O)NC3CC3)cn2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID91465791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3206561449042b8b8071cd95a50dfbc
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:36][c:37]1[n:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH:44]2[CH2:45][CH2:46]2)[cH:47][cH:48]1.[C:49]([O:50][CH:51]([CH3:52])[CH3:53])(=[O:54])[CH3:55].[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]>>[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:37]3[n:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH:44]4[CH2:45][CH2:46]4)[cH:47][cH:48]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]