HRID1555224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID304271

Thiazole-4-carboxylic acid

C4H3NO2S

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)nn2c1

HCID68985382

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)c3cscn3)nn2c1

HCID57749100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e5c8a17496814ac995f2f058e990238e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:47](=[O:48])([O-:49])[OH:50].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl:9][C:10]([C:11]([Cl:12])=[O:13])=[O:14].[NH2:15][c:16]1[n:17][n:18]2[c:19]([cH:20][cH:21][c:22]([O:24][c:25]3[cH:26][c:27]([NH:32][C:33]([c:34]4[cH:35][c:36]([C:40]([CH3:41])([CH3:42])[C:43]#[N:44])[cH:37][cH:38][cH:39]4)=[O:45])[cH:28][cH:29][c:30]3[CH3:31])[cH:23]2)[n:46]1.[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[s:1]1[cH:2][n:3][c:4]([C:6](=[O:7])[OH:8])[cH:5]1>>[s:1]1[cH:2][n:3][c:4]([C:6](=[O:8])[NH:15][c:16]2[n:17][n:18]3[c:19]([cH:20][cH:21][c:22]([O:24][c:25]4[cH:26][c:27]([NH:32][C:33]([c:34]5[cH:35][c:36]([C:40]([CH3:41])([CH3:42])[C:43]#[N:44])[cH:37][cH:38][cH:39]5)=[O:45])[cH:28][cH:29][c:30]4[CH3:31])[cH:23]3)[n:46]2)[cH:5]1