Acetic Acid → 4-Ethyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole

HRID 2334878노트

반응식

HRID 2334878 반응식
[CH2:1]([CH3:2])[n:3]1[c:4]([S:13][CH3:14])[n:5][n:6][c:7]1-[c:8]1[s:9][cH:10][cH:11][cH:12]1.[CH3:19][C:20]([OH:21])=[O:22].[Na+:18].[OH-:17].[OH:15][OH:16]>>[CH2:1]([CH3:2])[n:3]1[c:4]([S:13]([CH3:14])(=[O:17])=[O:21])[n:5][n:6][c:7]1-[c:8]1[s:9][cH:10][cH:11][cH:12]1

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 450955794-ethyl-3-(methylthio)-5-(thiophen-2-yl)-4H-1,2,4-triazole

생성물 1

HCID 473318934-Ethyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole

출처 및 근거

ORD 기록
ord-ed3a1f0b3ca440668a22965cfa306373
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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