Ethanol → 3-[2,6-Difluoro-4-[[4-[[(2-phenylethyl)(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzyl]oxy]phenyl]propanoic acid

HRID 671658Notes

Reaction equation

HRID 671658 reaction equation
[CH3:52][CH2:53][OH:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][c:2]1[c:3]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[c:4]([F:37])[cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:22]3)[CH2:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:14][cH:15]2)[cH:7]1.[K+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:45]>>[F:1][c:2]1[c:3]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[c:4]([F:37])[cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:22]3)[CH2:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:14][cH:15]2)[cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23143263Ethyl 3-[2,6-difluoro-4-[[4-[[(2-phenylethyl)(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzyl]oxy]phenyl]-propanoate

Product 1

HCID 114446463-[2,6-Difluoro-4-[[4-[[(2-phenylethyl)(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzyl]oxy]phenyl]propanoic acid

Sources & evidence

ORD record
ord-2c1c9e8ee6d9424bb4ae185e7cd96678
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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