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Dimethyl Sulfoxide → 1-(2-Hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)pyrrolidine-3-carboxylic acid

HRID 288695
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HRID 288695 반응식
[Br:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1.[CH2:38]1[CH2:39][CH2:40][C:41]2=[N:46][CH2:45][CH2:44][CH2:43][N:42]2[CH2:47][CH2:48]1.[CH3:49][S:50]([CH3:51])=[O:52].[NH:30]1[CH2:31][CH:32]([C:35](=[O:36])[OH:37])[CH2:33][CH2:34]1>>[CH2:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1)[N:30]1[CH2:31][CH:32]([C:35](=[O:36])[OH:37])[CH2:33][CH2:34]1
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참가 물질

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반응물 4

HCID 679Dimethyl SulfoxideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 30346453-Pyrrolidinecarboxylic acidHCID 583740872-Bromo-1-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol

생성물 1

HCID 509251811-(2-Hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)pyrrolidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-73fca320a93e4a14b934a9a25bc2cba6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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