Acetone → Methanesulfonate

HRID 672599

반응식

HRID 672599 반응식
[CH3:23][S:24]([OH:25])(=[O:26])=[O:27].[CH3:28][C:29](=[O:30])[CH3:31].[NH2:1][C:2](=[N:3][C:4]([c:5]1[c:6]([CH3:20])[cH:7][c:8]([CH:15]2[CH:16]=[CH:17][CH2:18][CH2:19]2)[c:9]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:10]1)=[O:21])[NH2:22]>>[CH3:23][S:24](=[O:25])(=[O:26])[O-:27].[NH2:1][C:2](=[N:3][C:4]([c:5]1[c:6]([CH3:20])[cH:7][c:8]([CH:15]2[CH:16]=[CH:17][CH2:18][CH2:19]2)[c:9]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:10]1)=[O:21])[NH2:22]

참가 물질

5

반응물 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 9818569N-diaminomethylene-2-methyl-4-(1-cyclopenten-3-yl)-5-methylsulfonylbenzamide

생성물 2

HCID 85257MethanesulfonateHCID 9818569N-diaminomethylene-2-methyl-4-(1-cyclopenten-3-yl)-5-methylsulfonylbenzamide

출처 및 근거

ORD 기록
ord-c47c152ad4554e50a25e74636b51b167
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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