HRID140488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(n3cc(I)ccc3=O)CC2)C1

HCID49764697

未命名化合物

HCID178418546

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(=O)n(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1

HCID49764699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d8cbd71f455477d8f1f3277c68e2cdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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