Dichloromethane → 1-[[2-Methoxy-5-(1-methylethyl)phenyl]methyl]-piperazine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 671315531,1-Dimethylethyl 4-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-1-piperazinecarboxylate

생성물 1

HCID 39064451-[[2-Methoxy-5-(1-methylethyl)phenyl]methyl]-piperazine

출처 및 근거

ORD 기록: ord-adb5dcae714d494fad90fadfaae910dd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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