Hydroxide → {6-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethoxy]-indol-1-yl}-acetic acid

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]3[n:20][c:21](-[c:25]4[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]4)[s:22][c:23]3[CH3:24])[cH:15][c:16]12)=[O:35].[Li+:37].[OH-:36]>>[O:5]=[C:6]([CH2:7][n:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]3[n:20][c:21](-[c:25]4[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]4)[s:22][c:23]3[CH3:24])[cH:15][c:16]12)[OH:35]

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium Cation

HCID 69279699{6-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethoxy]-indol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 11442208{6-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethoxy]-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록: ord-cdc7948e57bf4961ad23ffc050520ccd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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