HRID1233023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID94097

Benzoic acid, 3,4-bis(acetyloxy)-

C11H10O6

反应SMILES：CC(ON=C(C(=O)OC(C)(C)C)c1csc(N)n1)C(=O)NN

HCID86742766

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CC(=O)Oc1ccc(C(=O)NNC(=O)C(C)ON=C(C(=O)OC(C)(C)C)c2csc(N)n2)cc1OC(C)=O

HCID57077951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb82a95a5fb74762a1543ce7b672f415
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7](=[N:8][O:9][CH:10]([CH3:11])[C:12]([NH:13][NH2:14])=[O:15])[c:16]1[n:17][c:18]([NH2:21])[s:19][cH:20]1)=[O:22].[C:24]([CH3:25])(=[O:26])[O:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][c:36]1[O:37][C:38]([CH3:39])=[O:40].[CH2:43]([Cl:44])[Cl:45].[CH3:41][OH:42].[Cl-:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7](=[N:8][O:9][CH:10]([CH3:11])[C:12]([NH:13][NH:14][C:31]([c:30]1[cH:29][c:28]([O:27][C:24]([CH3:25])=[O:26])[c:36]([O:37][C:38]([CH3:39])=[O:40])[cH:35][cH:34]1)=[O:32])=[O:15])[c:16]1[n:17][c:18]([NH2:21])[s:19][cH:20]1)=[O:22].[ClH:23]