Bromide ion → {4-[4-(4-Chloro-benzyloxy)-benzylsulfanyl]-2-methyl-phenoxy}-acetic Acid

반응식

[Br-:31].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([S:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]2)[cH:10][cH:11]1)=[O:30].[K+:32]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([S:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]2)[cH:10][cH:11]1)[OH:30]

참가 물질

반응물 3

HCID 259Bromide ion

HCID 813Potassium Cation

HCID 20827026HCID 20827026, 화합물

생성물 1

HCID 22280026{4-[4-(4-Chloro-benzyloxy)-benzylsulfanyl]-2-methyl-phenoxy}-acetic Acid

출처 및 근거

ORD 기록: ord-e3db622edf4e41aa9f2fb2cd842a22a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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