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Hydrochloric Acid → [2-[2-(3-Butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-4-methyl-1,3-thiazol-5-yl]-(3,3-difluoroazetidin-1-yl)methanone

HRID 694261
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인쇄 미리보기

반응식

HRID 694261 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][o:7][c:8]([CH3:21])[c:9]1[CH:10]=[CH:11][c:12]1[s:13][c:14]([C:18](=[O:19])[OH:20])[c:15]([CH3:17])[n:16]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:22].[F:23][C:24]1([F:28])[CH2:25][NH:26][CH2:27]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49].[OH:29][N:30]1[C:31](=[O:32])[CH2:33][CH2:34][C:35]1=[O:36]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][o:7][c:8]([CH3:21])[c:9]1[CH:10]=[CH:11][c:12]1[s:13][c:14]([C:18](=[O:20])[N:26]2[CH2:25][C:24]([F:23])([F:28])[CH2:27]2)[c:15]([CH3:17])[n:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 80170N-HydroxysuccinimideHCID 27582483,3-DifluoroazetidineHCID 666437632-[2-(3-Butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

생성물

1
HCID 66643680[2-[2-(3-Butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-4-methyl-1,3-thiazol-5-yl]-(3,3-difluoroazetidin-1-yl)methanone

출처 및 근거

ORD 기록
ord-cbcd4f13d0124ff8bab83e28afdd07b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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