Hydrochloric Acid → 6-[2-Chloro-4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylic acid

HRID 2311123Notes

Reaction equation

HRID 2311123 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:48][OH:49].[Cl:1][c:2]1[c:3](-[c:26]2[cH:27][c:28]3[cH:29][cH:30][cH:31][c:32]([C:36](=[O:37])[O:38][CH3:39])[c:33]3[cH:34][cH:35]2)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[c:11](-[c:18]3[c:19]([Cl:25])[cH:20][cH:21][cH:22][c:23]3[Cl:24])[n:12][o:13][c:14]2[CH:15]([CH3:16])[CH3:17])[cH:7]1.[ClH:47].[Na+:46].[OH-:45]>>[Cl:1][c:2]1[c:3](-[c:26]2[cH:27][c:28]3[cH:29][cH:30][cH:31][c:32]([C:36](=[O:37])[OH:38])[c:33]3[cH:34][cH:35]2)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[c:11](-[c:18]3[c:19]([Cl:25])[cH:20][cH:21][cH:22][c:23]3[Cl:24])[n:12][o:13][c:14]2[CH:15]([CH3:16])[CH3:17])[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59264865Methyl 6-[2-chloro-4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylate

Product 1

HCID 247390176-[2-Chloro-4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylic acid

Sources & evidence

ORD record
ord-59dc210813114af98616b1198aa72458
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…