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Bicarbonate Ion → [2-(5-{1-[1-methyl-5-(methylsulfonyl)-1H-pyrazol-3-yl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]methanol

HRID 938066
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HRID 938066 반응식
[C:35](=[O:36])([O-:37])[OH:38].[CH3:1][n:2]1[n:3][c:4]([CH:9]([CH2:10][CH:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][c:20](-[c:22]3[s:23][c:24]([CH2:27][OH:28])[cH:25][n:26]3)[nH:21]2)[cH:5][c:6]1[S:7][CH3:8].[CH3:40][OH:41].[Na+:39].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH2:29]>>[CH3:1][n:2]1[n:3][c:4]([CH:9]([CH2:10][CH:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][c:20](-[c:22]3[s:23][c:24]([CH2:27][OH:28])[cH:25][n:26]3)[nH:21]2)[cH:5][c:6]1[S:7]([CH3:8])(=[O:29])=[O:30]
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반응물 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 44464406[2-(5-{1-[1-methyl-5-(methylsulfanyl)-1H-pyrazol-3-yl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]methanol

생성물 1

HCID 44464404
[2-(5-{1-[1-methyl-5-(methylsulfonyl)-1H-pyrazol-3-yl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]methanol

출처 및 근거

ORD 기록
ord-1c8d9caac9d64463b8501ff344f513f5
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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