Hydrochloric Acid → Hydrochloric Acid

HRID 2315988Notes

Reaction equation

HRID 2315988 reaction equation
[CH3:2][CH:3]1[CH2:4][N:5]([C:18]([c:19]2[c:20](-[n:26]3[n:27][cH:28][cH:29][n:30]3)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2)=[O:31])[CH2:6][CH2:7][N:8]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH:9]1[CH3:10].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[ClH:1]>>[CH3:2][CH:3]1[CH2:4][N:5]([C:18]([c:19]2[c:20](-[n:26]3[n:27][cH:28][cH:29][n:30]3)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2)=[O:31])[CH2:6][CH2:7][NH:8][CH:9]1[CH3:10].[ClH:1]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 59527669tert-butyl 6,7-dimethyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 59527665(5,6-Dimethyl-1,4-diazepan-1-yl)-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Sources & evidence

ORD record
ord-170c1bc9af984892a9de1aea6e9006a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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