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Bicarbonate Ion → N-(3-{6-Methyl-3-[3-(2-thienyl)propyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

HRID 1565734
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반응식

HRID 1565734 반응식
[Al+3:29].[C:35](=[O:36])([O-:37])[OH:38].[CH3:1][C:2]1([c:17]2[cH:18][c:19]([NH:23][S:24](=[O:25])(=[O:26])[CH3:27])[cH:20][cH:21][cH:22]2)[CH:3]2[CH2:4][N:5]([C:8]([CH2:9][CH2:10][c:11]3[s:12][cH:13][cH:14][cH:15]3)=[O:16])[CH2:6][CH:7]12.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[H-:28].[H-:31].[H-:32].[H-:33].[Li+:30].[Na+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:34]>>[CH3:1][C:2]1([c:17]2[cH:18][c:19]([NH:23][S:24](=[O:25])(=[O:26])[CH3:27])[cH:20][cH:21][cH:22]2)[CH:3]2[CH2:4][N:5]([CH2:8][CH2:9][CH2:10][c:11]3[s:12][cH:13][cH:14][cH:15]3)[CH2:6][CH:7]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회
HCID 22141147
N-(3-{6-methyl-3-[3-(2-thienyl)propanoyl]-3-azabicyclo[3.1.0]hex-6-yl]phenyl)methanesulfonamide

생성물 1

HCID 22141228N-(3-{6-Methyl-3-[3-(2-thienyl)propyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

출처 및 근거

ORD 기록
ord-4eef1c9c25cc42baaab66ce23109c810
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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