Hydrochloric Acid → Hydrochloric Acid

HRID 180002Notes

Reaction equation

HRID 180002 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[CH3:33][OH:34].[ClH:26].[F:1][C:2]([F:3])([F:4])[C:18]([N:5]1[CH2:6][CH:7]2[c:8]3[cH:9][cH:10][c:11]([OH:17])[cH:12][c:13]3[CH:14]([CH2:15]1)[CH2:16]2)=[O:19].[Na+:24].[Na+:25].[OH2:35]>>[ClH:26].[NH:5]1[CH2:6][CH:7]2[c:8]3[cH:9][cH:10][c:11]([OH:17])[cH:12][c:13]3[CH:14]([CH2:15]1)[CH2:16]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 218647432,2,2-trifluoro-1-(7-hydroxy-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)ethanone

Product 2

HCID 313Hydrochloric AcidHCID 10219646HCID 10219646, compound

Sources & evidence

ORD record
ord-32e0abc6531343328cefa4194c8f0bf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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