Sodium Ion → 2-Butyl-3-[4-[2-(4'-hydroxybiphenyl-4-carbonylamino)ethoxy]phenyl]propionic acid

반응식

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

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 18625857Ethyl 2-butyl-3-[4-[2-(4'-hydroxybiphenyl-4-carbonylamino)ethoxy]phenyl]propionate

생성물 1

HCID 177956272-Butyl-3-[4-[2-(4'-hydroxybiphenyl-4-carbonylamino)ethoxy]phenyl]propionic acid

출처 및 근거

ORD 기록: ord-5791875e390a404182fb32c3d61e1517
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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