Hydrochloric Acid → HCID 178433802, compound

HRID 1119320Notes

Reaction equation

HRID 1119320 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:24]1[CH2:25][CH2:26][c:27]2[cH:28][c:29]([N:33]3[N:34]=[C:35]([CH3:39])[CH2:36][C:37]3=[O:38])[cH:30][cH:31][c:32]21.[CH3:46][CH2:47][OH:48].[ClH:1].[ClH:45].[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+:44]>>[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:36]1[C:35]([CH3:39])=[N:34][N:33]([c:29]2[cH:28][c:27]3[c:32]([cH:31][cH:30]2)[CH2:24][CH2:25][CH2:26]3)[C:37]1=[O:38]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 210723043-(3-Amino-2-hydroxy-5-methylphenyl)benzoic acidHCID 574837802-Indan-5-yl-5-methyl-2,4-dihydro-pyrazol-3-one

Product 1

HCID 178433802HCID 178433802, compound

Sources & evidence

ORD record
ord-f12256accce8416385fc560187ecdd8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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