Serinol → N-(2-Hydroxy-1-hydroxymethyl-ethyl)-2-{4-[5-(2-isobutyl-6-methyl-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-phenyl}-acetamide

반응식

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

참가 물질

반응물 2

HCID 68294Serinol

HCID 59234753{4-[5-(2-Isobutyl-6-methyl-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-phenyl}-acetic acid

생성물 1

HCID 68556838N-(2-Hydroxy-1-hydroxymethyl-ethyl)-2-{4-[5-(2-isobutyl-6-methyl-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-phenyl}-acetamide

출처 및 근거

ORD 기록: ord-91072637f35c4defa2505e16a55d7ca9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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