HRID118547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15458

tert-Butyl acrylate

C7H12O2

结构：O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ccc(Br)cc21

HCID46077949

未命名化合物

结构：COC(=O)C=Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID66932397

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)N2

HCID66932496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c0901964fee4efaa05818e8be91163f
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

[C:25]([CH:26]=[CH2:27])(=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([Br:24])[cH:19][c:20]1[C:21](=[O:23])[NH:22]2.[CH3:34][O:35][C:36](=[O:37])[CH:38]=[CH:39][c:40]1[cH:41][c:42]2[c:43]([cH:44][cH:45]1)[O:46][C:47]1([CH2:48][CH2:49][N:50]([C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:58][CH2:59]1)[CH2:60][C:61]2=[O:62]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([CH:27]=[CH:26][C:25](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:19][c:20]1[C:21](=[O:23])[NH:22]2