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

HRID 2129076Notes

Reaction equation

HRID 2129076 reaction equation
[CH3:49][OH:50].[Cl:3][c:4]1[c:5](-[c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][n:29][c:30]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)[c:6]([Cl:10])[cH:7][cH:8][cH:9]1.[ClH:42].[Na+:2].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:1].[OH2:43]>>[Cl:3][c:4]1[c:5](-[c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][n:29][c:30]([C:34](=[O:35])[OH:36])[c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)[c:6]([Cl:10])[cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 59321556HCID 59321556, compound

Product 1

HCID 533175316-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-isoquinolinecarboxylic acid

Sources & evidence

ORD record
ord-885e54d450814976b7ac3ded54635b6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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