Dichloromethane → N-tert-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 57917710tert-Butyl 4-(3-(tert-butylcarbamoyl)-2-fluorobenzyl)piperazine-1-carboxylate

생성물 1

HCID 57917605N-tert-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide

출처 및 근거

ORD 기록: ord-a9c039b4f3ce406ab9f8d864ec1272cb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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