Phenol → 3,6-dimethyl-4-phenoxy-1-(2,4,6-trimethylphenyl)-1H-pyrazolo-[3,4-b]pyridine

반응식

[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([CH3:8])[cH:7]1)[n:9](-[c:13]1[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]1[CH3:19])[n:10][c:11]2[CH3:12].[NH2:22][CH:23]([CH2:24][CH3:25])[CH2:26][OH:27].[OH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:3]2[c:4]([n:5][c:6]([CH3:8])[cH:7]1)[n:9](-[c:13]1[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]1[CH3:19])[n:10][c:11]2[CH3:12]

참가 물질

반응물 3

HCID 996Phenol

HCID 221292-Amino-1-butanol

HCID 211929064-chloro-3,6-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrazolo[3,4-b]pyridine

생성물 1

HCID 211929053,6-dimethyl-4-phenoxy-1-(2,4,6-trimethylphenyl)-1H-pyrazolo-[3,4-b]pyridine

출처 및 근거

ORD 기록: ord-a00f7235c787476baa5763a5ba154e51
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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