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Hydrochloric Acid → 3-{4-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-hex-4-ynoic acid ethyl ester

HRID 281913
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반응식

HRID 281913 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][CH:30]([C:31]#[C:32][CH3:33])[c:34]1[cH:35][cH:36][c:37]([OH:40])[cH:38][cH:39]1)=[O:41].[Cl:7][CH2:8][c:9]1[n:10][c:11](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[o:12][c:13]1[CH3:14].[ClH:42].[Cs+:5].[Cs+:6].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:48]>>[CH2:8]([c:9]1[n:10][c:11](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[o:12][c:13]1[CH3:14])[O:40][c:37]1[cH:36][cH:35][c:34]([CH:30]([CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:41])[C:31]#[C:32][CH3:33])[cH:39][cH:38]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 102363332-(4-Trifluoromethylphenyl)-4-chloromethyl-5-methyloxazoleHCID 59132733Ethyl 3-(4-hydroxyphenyl)hex-4-ynoate

생성물 1

HCID 591326383-{4-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-hex-4-ynoic acid ethyl ester

출처 및 근거

ORD 기록
ord-cae5f9cdd9b741a4aeb9f78aa397e404
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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