Hydrochloric Acid → (1-{2-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-4-difluoromethoxymethyl-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HRID 2137703Notes

Reaction equation

HRID 2137703 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:18]2[nH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]3)[cH:21][n:22]2)[CH2:10][CH:11]([CH2:13][O:14][CH:15]([F:16])[F:17])[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:31][O:32][C:33](=[O:34])[NH:35][CH:36]([C:37](=[O:38])[OH:39])[CH:40]([CH3:41])[CH3:42].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH3:82][CH2:83][O:84][C:85]([CH3:86])=[O:87].[Cl:74][CH2:75][Cl:76].[ClH:30].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[N:8]1([C:37]([CH:36]([NH:35][C:33]([O:32][CH3:31])=[O:34])[CH:40]([CH3:41])[CH3:42])=[O:38])[CH:9]([c:18]2[nH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]3)[cH:21][n:22]2)[CH2:10][CH:11]([CH2:13][O:14][CH:15]([F:16])[F:17])[CH2:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 138211012-((Methoxycarbonyl)amino)-3-methylbutanoic acidHCID 666207862-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-4-difluoromethoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 66620824(1-{2-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-4-difluoromethoxymethyl-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-f9909a0bdd2141a0ae37476ebe248cc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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