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Potassium Cation → 1-[2-[5-[3-(1-methoxypropan-2-yloxy)-5-(5-methylsulfonylpyrazin-2-yl)oxyphenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol

HRID 2140552
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HRID 2140552 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][C:46]#[N:47].[Cl:27][c:28]1[n:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[n:32][cH:33]1.[K+:42].[K+:43].[OH2:44].[OH:1][CH:2]([CH3:3])[CH:4]1[N:5]=[C:6]([c:9]2[cH:10][cH:11][c:12](-[c:14]3[cH:15][c:16]([OH:26])[cH:17][c:18]([O:20][CH:21]([CH2:22][O:23][CH3:24])[CH3:25])[cH:19]3)[nH:13]2)[O:7][CH2:8]1>>[OH:1][CH:2]([CH3:3])[CH:4]1[N:5]=[C:6]([c:9]2[cH:10][cH:11][c:12](-[c:14]3[cH:15][c:16]([O:26][c:28]4[n:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[n:32][cH:33]4)[cH:17][c:18]([O:20][CH:21]([CH2:22][O:23][CH3:24])[CH3:25])[cH:19]3)[nH:13]2)[O:7][CH2:8]1
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 866495742-Chloro-5-(methylsulfonyl)pyrazineHCID 1784955183-[5-[4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(1-methoxypropan-2-yloxy)phenol

생성물 1

HCID 74943636
1-[2-[5-[3-(1-methoxypropan-2-yloxy)-5-(5-methylsulfonylpyrazin-2-yl)oxyphenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol

출처 및 근거

ORD 기록
ord-0289ac0f912640b295c26389c08ac3d0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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