Toluene → 2,2-dimethyl-5-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexane-1-carbonitrile

반응식

[CH3:12][c:13]1[c:14]2[cH:15][n:16][nH:17][c:18]2[cH:19][cH:20][c:21]1[OH:22].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[OH:1][CH:2]1[CH2:3][CH2:4][C:5]([CH3:10])([CH3:11])[CH:6]([C:8]#[N:9])[CH2:7]1>>[O:1]([CH:2]1[CH2:3][CH2:4][C:5]([CH3:10])([CH3:11])[CH:6]([C:8]#[N:9])[CH2:7]1)[c:21]1[c:13]([CH3:12])[c:14]2[cH:15][n:16][nH:17][c:18]2[cH:19][cH:20]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 229335464-methyl-1H-indazol-5-ol

HCID 229337723-Cyano-4,4-dimethylcyclohexanol

생성물 1

HCID 184475472,2-dimethyl-5-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexane-1-carbonitrile

출처 및 근거

ORD 기록: ord-fedd7e34134040d784e5a1813df9ea2e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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