Sodium ion → 2-[[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-4-methylpentanoic acid

HRID 304914

반응식

[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[NH:10][C:11]([c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][CH:21]([NH:24][CH2:25][CH:26]([c:27]3[cH:28][c:29]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[c:30]([OH:33])[cH:31][cH:32]3)[OH:39])[CH2:22][CH2:23]2)[cH:16][cH:17]1)=[O:40])=[O:41].[Na+:43].[OH-:42]>>[O:3]=[C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[NH:10][C:11]([c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][CH:21]([NH:24][CH2:25][CH:26]([c:27]3[cH:28][c:29]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[c:30]([OH:33])[cH:31][cH:32]3)[OH:39])[CH2:22][CH2:23]2)[cH:16][cH:17]1)=[O:40])[OH:41]

참가 물질

반응물 3

HCID 923Sodium ion

HCID 961Hydroxide

HCID 69655174Ethyl 2-[[4-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-4-methylpentanoate

생성물 1

HCID 222202482-[[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-4-methylpentanoic acid

출처 및 근거

ORD 기록: ord-8c4c8f8a0f5b490296a382bae205c464
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

연결된 노트

불러오는 중…