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Bicarbonate Ion → N-(3-{3-[3-(1,3-Benzodioxol-5-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

HRID 950295
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HRID 950295 반응식
[Al+3:33].[C:39](=[O:40])([O-:41])[OH:42].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[H-:32].[H-:35].[H-:36].[H-:37].[Li+:34].[Na+:43].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH:16]3[C:17]([CH3:20])([c:21]4[cH:22][c:23]([NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:24][cH:25][cH:26]4)[CH:18]3[CH2:19]1)[cH:9]2.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:38]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][CH2:12][N:14]1[CH2:15][CH:16]3[C:17]([CH3:20])([c:21]4[cH:22][c:23]([NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:24][cH:25][cH:26]4)[CH:18]3[CH2:19]1)[cH:9]2
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 22141259
N-(3-{3-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

생성물 1

HCID 22141222N-(3-{3-[3-(1,3-Benzodioxol-5-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

출처 및 근거

ORD 기록
ord-3d3150c2310f45cc8a3296889ebffe83
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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