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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ammonium → 6-(4-oxo-2-phenoxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid tert-butyl ester

HRID 147187
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반응식

HRID 147187 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[n:15][c:16]([N:20]3[C:21](=[O:37])[c:22]4[n:23]([n:26][c:27]([CH2:29][O:30][c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:28]4)[CH2:24][CH2:25]3)[cH:17][cH:18][cH:19]2)=[CH:12][CH2:13]1.[CH3:42][OH:43].[CH:38]([O-:39])=[O:40].[NH4+:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15][c:16]([N:20]3[C:21](=[O:37])[c:22]4[n:23]([n:26][c:27]([CH2:29][O:30][c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:28]4)[CH2:24][CH2:25]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1
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반응물 4

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 574100246-(4-oxo-2-phenoxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid tert-butyl ester

생성물 1

HCID 679916106-(4-oxo-2-phenoxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-106093bff45a416097057d8730d2f6d8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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