Hydrochloric Acid → Hydrochloric Acid

HRID 310883Notes

Reaction equation

HRID 310883 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[ClH:7].[K+:5].[K+:6].[N:8]12[CH2:9][CH:10]([C:16](=[O:17])[Cl:18])[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2.[NH2:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([NH:32][C:33]([C:34](=[O:35])[OH:36])=[O:37])[cH:30][cH:31]2)[cH:24][cH:25]1.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[ClH:18].[N:8]12[CH2:9][CH:10]([C:16](=[O:17])[NH:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][cH:28][c:29]([NH:32][C:33]([C:34](=[O:35])[OH:36])=[O:37])[cH:30][cH:31]4)[cH:24][cH:25]3)[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 293247[(4'-Aminobiphenyl-4-yl)amino](oxo)acetic acidHCID 114466161-Azabicyclo[2.2.2]octane-3-carbonyl chloride

Product 2

HCID 313Hydrochloric AcidHCID 1785260172-[4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]anilino]-2-oxoacetic acid

Sources & evidence

ORD record
ord-1a680850d04e4f87bf68069675e768e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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