Hydroxide → {6-[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-indol-1-yl}-acetic acid

반응식

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

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 69282998{6-[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-indol-1-yl}-acetic acid ethyl ester

생성물 1

HCID 69283848{6-[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록: ord-beb9ec8e42394e45992ee7e9516af5e6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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