HRID2125576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12783320

2-Amino-alpha-oxothiazol-4-acetic acid

C5H4N2O3S

结构：CC(=O)Oc1ccc(C(ON)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

HCID14050775

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C(ON=C(C(=O)O)c2csc(N)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

HCID173377804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-252cf8eeccc04e049846b471680972fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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