Hydroxide → 3-[2,6-Dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid

반응식

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

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 69280741Methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate

생성물 1

HCID 222739133-[2,6-Dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid

출처 및 근거

ORD 기록: ord-c84bde9e44464810b4d5b487de7f6ead
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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