Hydrochloric Acid → (1-{3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HRID 2340931Notes

Reaction equation

HRID 2340931 reaction equation
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[c:14]1[nH:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]3)[cH:17][n:18]1)[CH2:26]2)([CH3:3])([CH3:4])[CH3:5].[CH3:28][O:29][C:30](=[O:31])[NH:32][CH:33]([C:34]([OH:35])=[O:36])[CH:37]([CH3:38])[CH3:39].[CH3:73][OH:74].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[ClH:27].[O:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:6](=[O:7])([N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[c:14]1[nH:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]3)[cH:17][n:18]1)[CH2:26]2)[CH:33]([NH:32][C:30]([O:29][CH3:28])=[O:31])[CH:37]([CH3:38])[CH3:39]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 138211012-((Methoxycarbonyl)amino)-3-methylbutanoic acidHCID 596109073-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

Product 1

HCID 66620573(1-{3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-f076af7297e74ca589ad86d75511add1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…