HRID101594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6332

Bromoethane

C2H5Br

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID92152

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccn5c(O)nnc5c4cc3-c3ccccc3)cc2)CCC1

HCID178452597

未命名化合物

PRODUCTS

生成物

结构：CCOc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)nc3ccn12

HCID57805453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dec7f948774492bbff6cc4abd930d6d
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

[Ag:42]=[O:43].[Br:39][CH2:40][CH3:41].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[OH:1][c:2]1[n:3][n:4][c:5]2[c:6]3[cH:7][c:8](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:9](-[c:15]4[cH:16][cH:17][c:18]([C:21]5([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:22][CH2:23][CH2:24]5)[cH:19][cH:20]4)[n:10][c:11]3[cH:12][cH:13][n:14]12>>[O:1]([c:2]1[n:3][n:4][c:5]2[c:6]3[cH:7][c:8](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:9](-[c:15]4[cH:16][cH:17][c:18]([C:21]5([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:22][CH2:23][CH2:24]5)[cH:19][cH:20]4)[n:10][c:11]3[cH:12][cH:13][n:14]12)[CH2:40][CH3:41]