{2-Ethyl-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acid → {2-Bromo-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acid

HRID 692698

반응식

HRID 692698 반응식
[CH2:19]([CH3:20])[c:21]1[c:22]([O:23][CH2:24][C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]([S:32][CH2:33][c:34]2[c:35]([CH3:49])[o:36][c:37](-[c:39]3[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]3)[cH:38]2)[cH:31]1.[CH2:1]([CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([S:8](=[O:9])(=[O:10])[Br:17])[cH:11][c:12]1[Cl:13])[C:14]([O-:15])=[O:16])[CH3:18]>>[Br:17][c:21]1[c:22]([O:23][CH2:24][C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]([S:32][CH2:33][c:34]2[c:35]([CH3:49])[o:36][c:37](-[c:39]3[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]3)[cH:38]2)[cH:31]1

참가 물질

3

반응물 2

HCID 10225846{2-Ethyl-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acidHCID 178458562HCID 178458562, 화합물

생성물 1

HCID 21986415{2-Bromo-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acid

출처 및 근거

ORD 기록
ord-5dbb56b16d38472c9210e15523077f0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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