HRID1206807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66810275

未命名化合物

结构：N#Cc1c(Oc2ccc(F)c(N)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID71819026

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3C#N)ccc2F)c1Cl

HCID59454496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def74de1120b4d1f9d6b2db98c93a809
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]([CH3:12])([CH3:13])[C:14]#[N:15].[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[c:33]([C:47]#[N:48])[c:34]3[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]4[CH2:43][CH2:44]4)[s:38]3)[cH:45][cH:46]2)[cH:49][cH:50][c:51]1[F:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[c:33]([C:47]#[N:48])[c:34]4[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]5[CH2:43][CH2:44]5)[s:38]4)[cH:45][cH:46]3)[cH:49][cH:50][c:51]2[F:52])[cH:7][cH:8][cH:9][c:10]1[C:11]([CH3:12])([CH3:13])[C:14]#[N:15]