Toluene → HCID 19025874, 화합물

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 82983,3,5-Trimethylcyclohexanol

HCID 144076195-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl chloride

생성물 1

HCID 19025874HCID 19025874, 화합물

출처 및 근거

ORD 기록: ord-fc1f32de77034eeeb9b6dcd5a1fb9ba9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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