Hydrochloric Acid → HCID 178433843, compound

HRID 1237085Notes

Reaction equation

HRID 1237085 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:24][C:25]1([CH3:41])[CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([N:34]3[N:35]=[C:36]([CH3:40])[CH2:37][C:38]3=[O:39])[cH:32][c:33]21.[ClH:1].[ClH:47].[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]([F:9])[cH:8]1.[Na+:23].[Na+:46]>>[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]([F:9])[cH:8]1)[N:20]=[C:37]1[C:36]([CH3:40])=[N:35][N:34]([c:31]2[cH:30][cH:29][c:28]3[c:33]([cH:32]2)[C:25]([CH3:24])([CH3:41])[CH2:26][CH2:27]3)[C:38]1=[O:39]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 210723153'-Amino-5'-fluoro-2'-hydroxy-biphenyl-3-carboxylic acidHCID 510369942-(3,3-Dimethyl-indan-5-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

Product 1

HCID 178433843HCID 178433843, compound

Sources & evidence

ORD record
ord-0558f62917c640cca4b0ef1697751aa7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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