2-Chloro-5-trifluoromethyl-(1,3,4)thiadiazole → 6-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]ethyl]-1,3-oxazinan-2-one

반응식

[Cl:36][c:37]1[s:38][c:39]([C:42]([F:43])([F:44])[F:45])[n:40][n:41]1.[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[s:38][c:39]([C:42]([F:43])([F:44])[F:45])[n:40][n:41]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]

참가 물질

반응물 2

HCID 132467892-Chloro-5-trifluoromethyl-(1,3,4)thiadiazole

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 752365186-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]ethyl]-1,3-oxazinan-2-one

출처 및 근거

ORD 기록: ord-802f60c4edc74313a94544abe9770d23
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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