Hydrochloric Acid → HCID 178433833, compound

HRID 107617Notes

Reaction equation

HRID 107617 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:24][C:25]1=[N:29][N:28]([c:30]2[cH:31][c:32]3[c:36]([cH:37][cH:38]2)[C:35]([CH3:39])([CH3:40])[CH2:34][C:33]3([CH3:41])[CH3:42])[C:27](=[O:43])[CH2:26]1.[ClH:1].[ClH:49].[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+:48]>>[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:36]([cH:37][cH:38]2)[C:35]([CH3:39])([CH3:40])[CH2:34][C:33]3([CH3:41])[CH3:42])[C:27]1=[O:43]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 210723043-(3-Amino-2-hydroxy-5-methylphenyl)benzoic acidHCID 510369935-Methyl-2-(1,1,3,3-tetramethyl-indan-5-yl)-2,4-dihydro-pyrazol-3-one

Product 1

HCID 178433833HCID 178433833, compound

Sources & evidence

ORD record
ord-ad3d4d9ea9534ca8a6777b68c4a212bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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