Hydrochloric Acid → 3-[3-[[4-[[2-(Furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]prop-2-enoic acid

HRID 666273Notes

Reaction equation

HRID 666273 reaction equation
[CH3:49][CH2:50][OH:51].[ClH:47].[Na+:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:45].[OH2:48].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:39])[c:9]([CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:22][c:23]4[CH:24]=[CH:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:37][cH:38]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:39])[c:9]([CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:22][c:23]4[CH:24]=[CH:25][C:26](=[O:27])[OH:28])[cH:37][cH:38]3)[n:10]2)[cH:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 91051400Ethyl 3-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]prop-2-enoate

Product 1

HCID 692163673-[3-[[4-[[2-(Furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]prop-2-enoic acid

Sources & evidence

ORD record
ord-18cb027de93c42d1bf03419d2f1b4c23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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