Toluene → [4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-(2,4-dimethoxy-pyrimidin-5-yl)-methanone

반응식

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH3:31])[c:6]([CH:11]([OH:12])[c:13]2[c:14]([O:21][CH3:22])[n:15][c:16]([O:19][CH3:20])[n:17][cH:18]2)[cH:7][c:8]1[O:9][CH3:10].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[O:39]=[Mn:40]=[O:41]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH3:31])[c:6]([C:11](=[O:12])[c:13]2[c:14]([O:21][CH3:22])[n:15][c:16]([O:19][CH3:20])[n:17][cH:18]2)[cH:7][c:8]1[O:9][CH3:10]

참가 물질

반응물 3

HCID 1140Toluene

HCID 14801Manganese dioxide

HCID 59598559[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-(2,4-dimethoxy-pyrimidin-5-yl)-methanol

생성물 1

HCID 59598600[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-(2,4-dimethoxy-pyrimidin-5-yl)-methanone

출처 및 근거

ORD 기록: ord-a29c18fe2e2341ffbf97765338b27062
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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