1-Chloro-2-methanesulfonylethane → {3-[1-(2-Methanesulfonyl-ethyl)-piperidin-4-yl]-phenyl}-[8-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine

반응식

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

참가 물질

반응물 2

HCID 3035331-Chloro-2-methanesulfonylethane

HCID 49838647[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-piperidin-4-yl-phenyl)-amine

생성물 1

HCID 49838517{3-[1-(2-Methanesulfonyl-ethyl)-piperidin-4-yl]-phenyl}-[8-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine

출처 및 근거

ORD 기록: ord-7ba17328f0cc4faf915e919ac3bfa631
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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