HRID2148597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59635762

未命名化合物

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCCC(CC(C)(C)O)(c2ccccc2)NC1=O

HCID178435619

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccc(=O)n(C3CC3)c2)cc1)N1CCCC(CC(C)(C)O)(c2ccccc2)NC1=O

HCID178435798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72275bf31fc443449a0cce29c75022bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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