HRID2325710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID11565

3,5-Dimethylpyridine

C7H9N

HCID11194901

5,7-Dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C7H9N5O2

HCID18539798

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

C7H5ClF3NO3S

HCID86760624

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1

HCID11571555

Pyroxsulam

C14H13F3N6O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa8f4d3e4104befb877ec50b6032586
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

[CH3:16][O:17][c:18]1[cH:19][c:20]([O:21][CH3:22])[n:23]2[n:24][c:25]([N:26]=[S:27]([CH3:28])[CH3:29])[n:30][c:31]2[n:32]1.[CH3:33][O:34][c:35]1[n:36][cH:37][cH:38][c:39]([C:45]([F:46])([F:47])[F:48])[c:40]1[S:41](=[O:42])(=[O:43])[Cl:44].[CH3:58][C:59]#[N:60].[ClH:15].[ClH:57].[NH2:1][c:2]1[n:3][n:4]2[c:5]([n:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[O:10][CH3:11])[n:14]1.[n:49]1[cH:50][c:51]([CH3:52])[cH:53][c:54]([CH3:55])[cH:56]1>>[NH:1]([c:2]1[n:3][n:4]2[c:5]([n:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[O:10][CH3:11])[n:14]1)[S:41]([c:40]1[c:35]([O:34][CH3:33])[n:36][cH:37][cH:38][c:39]1[C:45]([F:46])([F:47])[F:48])(=[O:42])=[O:43]