Hydrochloric Acid → HCID 178433826, compound

HRID 1113953Notes

Reaction equation

HRID 1113953 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:24][C:25]1=[N:29][N:28]([c:30]2[cH:31][c:32]3[c:37]([cH:38][cH:39]2)[CH2:36][CH2:35][CH2:34][CH2:33]3)[C:27](=[O:40])[CH2:26]1.[CH3:47][CH2:48][OH:49].[ClH:1].[ClH:46].[N:20]([O-:21])=[O:22].[NH2:2][c:3]1[c:4]([OH:19])[c:5](-[c:10]2[cH:11][c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][cH:15]2)[cH:6][c:7]([CH3:9])[cH:8]1.[Na+:23].[Na+:45]>>[NH:2]([c:3]1[c:4]([OH:19])[c:5](-[c:10]2[cH:11][c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][cH:15]2)[cH:6][c:7]([CH3:9])[cH:8]1)[N:20]=[C:26]1[C:25]([CH3:24])=[N:29][N:28]([c:30]2[cH:31][c:32]3[c:37]([cH:38][cH:39]2)[CH2:36][CH2:35][CH2:34][CH2:33]3)[C:27]1=[O:40]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 210723043-(3-Amino-2-hydroxy-5-methylphenyl)benzoic acidHCID 510365803-Methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5(4H)-one

Product 1

HCID 178433826HCID 178433826, compound

Sources & evidence

ORD record
ord-737ba7c908ac4ca5b0ca2537c1783b3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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