HRID2123551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID11565

3,5-Dimethylpyridine

C7H9N

HCID11446888

5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C7H9N5O2

HCID18539798

2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

C7H5ClF3NO3S

PRODUCTS

生成物

结构：COc1nccc(C(F)(F)F)c1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1

HCID18366179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1015a0a3b404aa8802ccdcb77243ef9
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

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