4-Bromo-1,3,5-trimethylpyrazole → 6-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one

반응식

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

참가 물질

반응물 2

HCID 5191814-Bromo-1,3,5-trimethylpyrazole

HCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

생성물 1

HCID 752365176-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one

출처 및 근거

ORD 기록: ord-c03bbfbe14f44e848c02441b01f8251b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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