Hydrochloric Acid → 2-[4-[4-[[2-Methoxy-4-[[4-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetic acid

HRID 1556524Notes

Reaction equation

HRID 1556524 reaction equation
[CH3:1][O:2][c:3]1[c:4]([O:5][CH2:6][c:7]2[n:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:17][cH:18]3)[o:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([CH2:29][O:30][c:31]2[n:32][n:33](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:34][c:35]2[CH:36]=[CH:37][c:38]2[n:39][c:40]([CH3:43])[s:41][cH:42]2)[cH:28]1.[CH3:59][CH2:60][OH:61].[ClH:57].[Na+:56].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:55].[OH2:58]>>[CH3:1][O:2][c:3]1[c:4]([O:5][CH2:6][c:7]2[n:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[OH:22])[cH:17][cH:18]3)[o:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([CH2:29][O:30][c:31]2[n:32][n:33](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:34][c:35]2[CH:36]=[CH:37][c:38]2[n:39][c:40]([CH3:43])[s:41][cH:42]2)[cH:28]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 91202699HCID 91202699, compound

Product 1

HCID 692149312-[4-[4-[[2-Methoxy-4-[[4-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetic acid

Sources & evidence

ORD record
ord-220c7fd8cb3641a6a97076800a259d36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…