HRID675278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID68417746

未命名化合物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(F)c(N)c3)nc2s1

HCID86646025

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)c4cccc(OC(C)(C)C#N)c4Cl)c3)nc2s1

HCID59507050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15494e49f6bb4e2d86ce98387b5cd5c1
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

[CH3:17][N:18]([CH3:19])[CH:20]=[O:21].[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16].[Cl:45][C:46]([C:47]([Cl:48])=[O:49])=[O:50].[NH2:22][c:23]1[cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]3[c:31]([n:32]2)[s:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]3)[cH:40][cH:41][c:42]1[F:43].[OH2:44]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:22][c:23]2[cH:24][c:25]([O:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([n:32]3)[s:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]4)[cH:40][cH:41][c:42]2[F:43])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16]