Methyl iodide → 2-[5-Fluoro-3-(trifluoromethyl)phenyl]-4-(3-iodopropyl)-1,3-oxazole

반응식

[CH3:44][I:45].[F:1][c:2]1[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6](-[c:8]2[o:9][cH:10][c:11]([CH2:13][CH2:14][CH2:15][OH:16])[n:12]2)[cH:7]1.[O:21]=[P:22]([O:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[F:1][c:2]1[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6](-[c:8]2[o:9][cH:10][c:11]([CH2:13][CH2:14][CH2:15][I:45])[n:12]2)[cH:7]1

참가 물질

반응물 3

HCID 6328Methyl iodide

HCID 8289Triphenyl Phosphate

HCID 672791633-{2-[5-Fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}propan-1-ol

생성물 1

HCID 672790242-[5-Fluoro-3-(trifluoromethyl)phenyl]-4-(3-iodopropyl)-1,3-oxazole

출처 및 근거

ORD 기록: ord-0c2e73180bbc405fb23e2b5881e7d7ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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