HRID667756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：CC(=O)OCC1OC(c2ccc(Br)c(Cc3ncc(-c4ccco4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID123782496

未命名化合物

HCID178418546

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(C#N)c(Cc3ncc(-c4ccco4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID77393935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d31b31f9ab52439387daf2b840a2df04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:37][O:38][C:39]([CH3:40])=[O:41])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[s:28][c:29](-[c:32]4[o:33][cH:34][cH:35][cH:36]4)[cH:30][n:31]3)[c:22]([Br:25])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[Cu:42][C:43]#[N:44]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:37][O:38][C:39]([CH3:40])=[O:41])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[s:28][c:29](-[c:32]4[o:33][cH:34][cH:35][cH:36]4)[cH:30][n:31]3)[c:22]([C:43]#[N:44])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]