HRID203890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：Cc1nc(C(=O)N2CCCCC2Cc2oc3ccccc3c2Br)c(-c2ccc(F)cc2)s1

HCID23146338

未命名化合物

HCID178418546

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)N2CCCCC2Cc2oc3ccccc3c2C#N)c(-c2ccc(F)cc2)s1

HCID23146262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5cdfbdc69af4bc5addd439a0f8db59d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH2:11][CH:12]2[N:13]([C:18](=[O:19])[c:20]3[n:21][c:22]([CH3:32])[s:23][c:24]3-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[Cu:33][C:34]#[N:35].[OH2:36]>>[c:2]1([C:34]#[N:35])[c:3]([CH2:11][CH:12]2[N:13]([C:18](=[O:19])[c:20]3[n:21][c:22]([CH3:32])[s:23][c:24]3-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2