2,4-Dimethyl-3-pyridinecarboxylic acid → N-(3-{4-[2-(4-Methanesulfonyl-phenyl)-benzo[1,3]dioxol-2-yl]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide

반응식

[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2([CH:20]3[CH2:21][CH2:22][N:23]([CH:26]([CH2:27][CH2:28][NH2:29])[CH3:30])[CH2:24][CH2:25]3)[O:12][c:13]3[c:14]([cH:16][cH:17][cH:18][cH:19]3)[O:15]2)[cH:9][cH:10]1.[CH3:31][c:32]1[c:33]([C:34](=[O:35])[OH:36])[c:37]([CH3:41])[cH:38][cH:39][n:40]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2([CH:20]3[CH2:21][CH2:22][N:23]([CH:26]([CH2:27][CH2:28][NH:29][C:34]([c:33]4[c:32]([CH3:31])[n:40][cH:39][cH:38][c:37]4[CH3:41])=[O:35])[CH3:30])[CH2:24][CH2:25]3)[O:12][c:13]3[c:14]([cH:16][cH:17][cH:18][cH:19]3)[O:15]2)[cH:9][cH:10]1

참가 물질

반응물 2

HCID 15125612,4-Dimethyl-3-pyridinecarboxylic acid

HCID 689687073-{4-[2-(4-Methanesulfonyl-phenyl)-benzo[1,3]dioxol-2-yl]-piperidin-1-yl}-butylamine

생성물 1

HCID 57563090N-(3-{4-[2-(4-Methanesulfonyl-phenyl)-benzo[1,3]dioxol-2-yl]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide

출처 및 근거

ORD 기록: ord-27692acd21f047d987199fbc791c35cf
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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