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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 3-(2-methoxy-4-{2-(4-trifluoromethyl-phenyl)-4-[(3,3,3-trifluoro-propylamino)-methyl]-thiazol-5-ylmethoxy}-phenyl)-4H-[1,2,4]oxadiazol-5-one

HRID 837393
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HRID 837393 반응식
[BH4-:49].[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH:23]=[O:24])[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[s:12]2)[cH:25][cH:26][c:27]1-[c:28]1[n:29][o:30][c:31](=[O:33])[nH:32]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:51][OH:52].[ClH:41].[F:42][C:43]([CH2:44][CH2:45][NH2:46])([F:47])[F:48].[Na+:50]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH2:23][NH:46][CH2:45][CH2:44][C:43]([F:42])([F:47])[F:48])[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[s:12]2)[cH:25][cH:26][c:27]1-[c:28]1[n:29][o:30][c:31](=[O:33])[nH:32]1
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참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 8471TriethylamineHCID 100013,3,3-TrifluoropropylamineHCID 28123BorohydrideHCID 136149986HCID 136149986, 화합물

생성물 1

HCID 136149946
3-(2-methoxy-4-{2-(4-trifluoromethyl-phenyl)-4-[(3,3,3-trifluoro-propylamino)-methyl]-thiazol-5-ylmethoxy}-phenyl)-4H-[1,2,4]oxadiazol-5-one

출처 및 근거

ORD 기록
ord-9ac2156dd226451da3ac16f9e6201a39
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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