HRID2318632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID11600913

4-(HYDROXYMETHYL)PHENYL PIVALATE

C12H16O3

结构：CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccc(CN=[N+]=[N-])cc3)C2SC1

HCID22767758

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1=C(C(=O)OCc2ccc(OC(=O)C(C)(C)C)cc2)N2C(=O)C(NC(=O)Cc3ccc(CN=[N+]=[N-])cc3)C2SC1

HCID54380599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44b0509050b940c982d4f9ca6238fd00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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