[3-(4-Bromo-2-bromomethyl-phenoxy)-phenyl]acetic acid methyl ester → methyl 2-[3-[2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-bromophenoxy]phenyl]acetate

반응식

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

참가 물질

반응물 2

HCID 58237479[3-(4-Bromo-2-bromomethyl-phenoxy)-phenyl]acetic acid methyl ester

HCID 591352455-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

생성물 1

HCID 178499430methyl 2-[3-[2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-bromophenoxy]phenyl]acetate

출처 및 근거

ORD 기록: ord-95f873ceb327413582e2bb473e333569
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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