N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide → N-[5-(2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide

반응식

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

참가 물질

반응물 2

HCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide

HCID 129659555-[4-(4-Oxo-piperidin-1-yl)-benzyl]-thiazolidine-2,4-dione

생성물 1

HCID 22220546N-[5-(2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide

출처 및 근거

ORD 기록: ord-666f45f3aba342bea34c8389cf67698a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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