Dichloromethane → (5-Piperidin-4-yl-thiophen-3-yl)-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-methanone

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 595425534-[4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-thiophen-2-yl]-piperidine-1 carboxylic acid tert-butyl ester

생성물 1

HCID 42645767(5-Piperidin-4-yl-thiophen-3-yl)-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-methanone

출처 및 근거

ORD 기록: ord-d9985f144c784eafa8aad1a25ab48b60
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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