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Ammonium → 1-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HRID 2336974
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HRID 2336974 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[n:14][cH:15][c:16]([I:18])[cH:17]2)[CH2:11][CH2:12]1)([CH3:19])[CH3:20].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:26][O:27][B:28]1[O:29][C:30]([CH3:35])([CH3:36])[C:31]([CH3:33])([CH3:34])[O:32]1.[CH:22]([Mg+:23])([CH3:24])[CH3:25].[Cl-:21].[Cl-:37].[NH4+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[n:14][cH:15][c:16]([B:28]3[O:29][C:30]([CH3:35])([CH3:36])[C:31]([CH3:33])([CH3:34])[O:32]3)[cH:17]2)[CH2:11][CH2:12]1)([CH3:19])[CH3:20]
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반응물 6

HCID 223AmmoniumHCID 312Chloride2회HCID 8028TetrahydrofuranHCID 109757592-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 667595941H-Pyrazole, 1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-4-iodo-HCID 178461726HCID 178461726, 화합물

생성물 1

HCID 66760040
1-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

출처 및 근거

ORD 기록
ord-ddaca94b8bcc44859c8cf404e9f477dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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