Hydrogen Bromide → HCID 178433842, compound

HRID 2327242Notes

Reaction equation

HRID 2327242 reaction equation
[BrH:1].[C:41](=[O:42])([OH:43])[O-:44].[CH3:23][C:24]1([CH3:40])[CH2:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([N:33]3[N:34]=[C:35]([CH3:39])[CH2:36][C:37]3=[O:38])[cH:31][c:32]21.[CH3:47][CH2:48][OH:49].[ClH:46].[N:19]([O-:20])=[O:21].[NH2:2][c:3]1[c:4]([OH:18])[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[s:14]2)[cH:6][c:7]([CH3:9])[cH:8]1.[Na+:22].[Na+:45]>>[NH:2]([c:3]1[c:4]([OH:18])[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[s:14]2)[cH:6][c:7]([CH3:9])[cH:8]1)[N:19]=[C:36]1[C:35]([CH3:39])=[N:34][N:33]([c:30]2[cH:29][cH:28][c:27]3[c:32]([cH:31]2)[C:24]([CH3:23])([CH3:40])[CH2:25][CH2:26]3)[C:37]1=[O:38]

Participants

9

Reactant 8

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 510369942-(3,3-Dimethyl-indan-5-yl)-5-methyl-2,4-dihydro-pyrazol-3-oneHCID 574838225-(3-Amino-2-hydroxy-5-methylphenyl)thiophene-2-carboxylic acid

Product 1

HCID 178433842HCID 178433842, compound

Sources & evidence

ORD record
ord-fbfd7ad619f44853ac8bf73f5a203ff2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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