HRID663370

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(C)(C)OC(=O)C(=NOC(C)(C)C(=O)NN)c1csc(N)n1

HCID54500213

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)(C)ON=C(C(=O)OC(C)(C)C)c2csc(N)n2)cc1OC(C)=O

HCID57072548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4075cb475510439894641bfbdb95e4a7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7](=[N:8][O:9][C:10]([CH3:11])([CH3:12])[C:13]([NH:14][NH2:15])=[O:16])[c:17]1[n:18][c:19]([NH2:22])[s:20][cH:21]1)=[O:23].[C:25]([CH3:26])(=[O:27])[O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][c:37]1[O:38][C:39]([CH3:40])=[O:41].[CH2:44]([Cl:45])[Cl:46].[CH3:42][OH:43].[Cl-:24]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7](=[N:8][O:9][C:10]([CH3:11])([CH3:12])[C:13]([NH:14][NH:15][C:32]([c:31]1[cH:30][c:29]([O:28][C:25]([CH3:26])=[O:27])[c:37]([O:38][C:39]([CH3:40])=[O:41])[cH:36][cH:35]1)=[O:33])=[O:16])[c:17]1[n:18][c:19]([NH2:22])[s:20][cH:21]1)=[O:23].[ClH:24]