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Ethanol → 3-{[(4-{[Cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}phenyl)carbonyl]amino}propanoic acid

HRID 2142717
Notes
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Reaction equation

HRID 2142717 reaction equation
[CH3:43][CH2:44][OH:45].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:42].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:41]>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66778097Ethyl 3-{[(4-{[cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}phenyl)carbonyl]amino}propanoate

Product 1

HCID 66778389
3-{[(4-{[Cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}phenyl)carbonyl]amino}propanoic acid

Sources & evidence

ORD record
ord-afb6c5326f3b4a3fb1bcc4b29a32e8a4
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