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Hydroxide → 3-(4-{4-[3-(4-Acetyl-piperazin-1-yl)-2-tert-butoxycarbonylamino-3-oxo-propyl]-phenoxy}-phenyl)-propionic acid

HRID 2123206
Notes
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Reaction equation

HRID 2123206 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]3)[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:17][cH:18]2)[cH:10][cH:11]1)=[O:40].[Li+:41].[OH-:42].[OH2:48]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]3)[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:17][cH:18]2)[cH:10][cH:11]1)[OH:40]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 597628063-(4-{4-[3-(4-Acetylpiperazin-1-yl)-2-tert-butoxycarbonylamino-3-oxo-propyl]-phenoxy}-phenyl)-propionic acid methyl ester

Product 1

HCID 59762812
3-(4-{4-[3-(4-Acetyl-piperazin-1-yl)-2-tert-butoxycarbonylamino-3-oxo-propyl]-phenoxy}-phenyl)-propionic acid

Sources & evidence

ORD record
ord-2ec1ea14a37147f18c2d1fe1b3845511
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes