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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

HRID 213889
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HRID 213889 반응식
[BH4-:6].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:8][S:9](=[O:10])(=[O:11])[OH:12].[CH:41]([OH:42])([CH3:43])[CH3:44].[Na+:7].[O:13]=[C:14]([CH:15]=[C:16]([CH2:17][c:18]1[c:19]([F:26])[cH:20][c:21]([F:25])[c:22]([F:24])[cH:23]1)[NH2:27])[N:28]1[CH2:29][c:30]2[n:31]([c:34]([C:37]([F:38])([F:39])[F:40])[n:35][n:36]2)[CH2:32][CH2:33]1>>[O:13]=[C:14]([CH2:15][CH:16]([CH2:17][c:18]1[c:19]([F:26])[cH:20][c:21]([F:25])[c:22]([F:24])[cH:23]1)[NH2:27])[N:28]1[CH2:29][c:30]2[n:31]([c:34]([C:37]([F:38])([F:39])[F:40])[n:35][n:36]2)[CH2:32][CH2:33]1
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반응물 6

HCID 923Sodium IonHCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 534002733-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one

생성물 1

HCID 11306691
3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

출처 및 근거

ORD 기록
ord-5d9f085db12546118075d1b2efcc330d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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