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1,2-Dichloroethane → 3-Benzyloxy-2-[4-fluorobenzyl(methyl)aminocarbonyl]-5-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

HRID 179702
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HRID 179702 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:20](=[O:21])[OH:22])[n:11][n:12]2[c:13]1[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2.[CH2:23]([Cl:24])[CH2:25][Cl:26].[F:37][c:38]1[cH:39][cH:40][c:41]([CH2:42][NH:43][CH3:44])[cH:45][cH:46]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:20](=[O:21])[N:43]([CH2:42][c:41]2[cH:40][cH:39][c:38]([F:37])[cH:46][cH:45]2)[CH3:44])[n:11][n:12]2[c:13]1[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2
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참가 물질

6

반응물 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 7368601-(4-fluorophenyl)-N-methylmethanamineHCID 689513253-Benzyloxy-5-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

생성물 1

HCID 68951449
3-Benzyloxy-2-[4-fluorobenzyl(methyl)aminocarbonyl]-5-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

출처 및 근거

ORD 기록
ord-703b43fe96674b41b85974abe83f0bb3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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