HRID175325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID6342

Acetonitrile

C2H3N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID11446888

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

C7H9N5O2

HCID16050308

2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride

C9H6ClF5O3S

PRODUCTS

生成物

结构：COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12

HCID11784975

Penoxsulam

C16H14F5N5O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e867812ce3c1472d99715371ca5b5d66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][S:2][CH3:3].[CH3:43][C:44]#[N:45].[Cl:4].[F:19][CH:20]([CH2:21][O:22][c:23]1[c:24]([S:33](=[O:34])(=[O:35])[Cl:36])[c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]1)[F:37].[NH2:5][c:6]1[n:7][n:8]2[c:9]([O:17][CH3:18])[n:10][cH:11][c:12]([O:15][CH3:16])[c:13]2[n:14]1.[OH2:46].[S:38]([Cl:39])([Cl:40])(=[O:41])=[O:42]>>[NH:5]([c:6]1[n:7][n:8]2[c:9]([O:17][CH3:18])[n:10][cH:11][c:12]([O:15][CH3:16])[c:13]2[n:14]1)[S:33]([c:24]1[c:23]([O:22][CH2:21][CH:20]([F:19])[F:37])[cH:28][cH:27][cH:26][c:25]1[C:29]([F:30])([F:31])[F:32])(=[O:34])=[O:35]