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Dimethyl Sulfoxide → Methyl 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)benzoate

HRID 2161009
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HRID 2161009 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][S:38]([CH3:39])=[O:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cs+:35].[Cs+:36].[N:18]1([C:22](=[O:23])[c:24]2[n:25][cH:26][c:27]([Cl:30])[n:28][cH:29]2)[CH2:19][CH2:20][CH2:21]1.[OH2:41].[OH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]([CH2:14][O:15][CH3:16])[CH3:17])[cH:11]1>>[O:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]([CH2:14][O:15][CH3:16])[CH3:17])[cH:11]1)[c:27]1[cH:26][n:25][c:24]([C:22]([N:18]2[CH2:19][CH2:20][CH2:21]2)=[O:23])[cH:29][n:28]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 46870328(Azetidin-1-yl)(5-chloropyrazin-2-yl)methanoneHCID 67274118Methyl 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate

생성물 1

HCID 75274609Methyl 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)benzoate

출처 및 근거

ORD 기록
ord-ffdce78ae5fa43e39b5f75ead2bbe314
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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