Hydroxide → {6-[2-Methyl-6-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyridin-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[c:18]([CH3:38])[n:19][c:20](-[c:27]4[cH:28][cH:29][c:30]([O:33][C:34]([F:35])([F:36])[F:37])[cH:31][cH:32]4)[cH:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][c:14]12)=[O:39].[Li+:41].[OH-:40]>>[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[c:18]([CH3:38])[n:19][c:20](-[c:27]4[cH:28][cH:29][c:30]([O:33][C:34]([F:35])([F:36])[F:37])[cH:31][cH:32]4)[cH:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][c:14]12)[OH:39]

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 86597782HCID 86597782, 화합물

생성물 1

HCID 11226238{6-[2-Methyl-6-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyridin-3-ylmethoxy]-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록: ord-ef60c3efc5094d52b78a59dfbb0cbd76
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

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