Hydrochloric Acid → [5-(2-Bromophenyl)-7-chloro-1-isobutyl-2-oxo-1,2,4,5-tetrahydrobenzo[d]azepin-3-yl]acetic acid

HRID 1122703Notes

Reaction equation

HRID 1122703 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[N:7]1[C:8](=[O:30])[CH:9]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:10]2[c:11]([cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[CH:12]([c:14]2[c:15]([Br:20])[cH:16][cH:17][cH:18][cH:19]2)[CH2:13]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][OH:40].[ClH:33].[Na+:32].[OH-:31].[OH2:41]>>[CH2:3]([C:4](=[O:5])[OH:6])[N:7]1[C:8](=[O:30])[CH:9]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:10]2[c:11]([cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[CH:12]([c:14]2[c:15]([Br:20])[cH:16][cH:17][cH:18][cH:19]2)[CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178454753HCID 178454753, compound

Product 1

HCID 59025465[5-(2-Bromophenyl)-7-chloro-1-isobutyl-2-oxo-1,2,4,5-tetrahydrobenzo[d]azepin-3-yl]acetic acid

Sources & evidence

ORD record
ord-519833210fae4d88aa3ca5ed9023db59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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