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Acetic Acid → tert-Butyl 9-(5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-3-azaspiro[5.5]undecane-3-carboxylate

HRID 673282
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HRID 673282 반응식
[CH2:33]([Cl:34])[Cl:35].[CH3:1][C:2](=[O:3])[OH:4].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[O:5]=[C:6]1[CH2:7][CH2:8][C:9]2([CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[CH2:22][CH2:23]1.[n:24]1[cH:25][n:26][n:27]2[c:28]1[CH2:29][NH:30][CH2:31][CH2:32]2>>[CH:6]1([N:30]2[CH2:29][c:28]3[n:24][cH:25][n:26][n:27]3[CH2:32][CH2:31]2)[CH2:7][CH2:8][C:9]2([CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[CH2:22][CH2:23]1
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HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 184069195H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyrazineHCID 51072194tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate

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HCID 66701117
tert-Butyl 9-(5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-3-azaspiro[5.5]undecane-3-carboxylate

출처 및 근거

ORD 기록
ord-c8935585f5b34d6f993540926cd29275
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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