Methanesulfonyl chloride → 4-({[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 31297Methanesulfonyl chloride

HCID 866032664-{[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 866032674-({[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-bbc4bd2465bd4a6a882165c19d82844b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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