Hydrochloric Acid → [5-Bromo-3-methyl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

HRID 1202579Notes

Reaction equation

HRID 1202579 reaction equation
[Br:1][c:2]1[c:3]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([N:27]3[CH:28]([CH2:32][O:33][C:34](=[O:35])[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:29][CH2:30][CH2:31]3)[CH2:25][CH2:26]2)[n:4]([CH3:18])[c:5](-[c:7]2[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]2)[n:6]1.[Br:42][c:43]1[n:44][c:45](-[c:46]2[cH:47][cH:48][cH:49][c:50]([O:51][C:52]([F:53])([F:54])[F:55])[cH:56]2)[n:57]([CH3:58])[c:59]1[C:60]([OH:61])=[O:62].[CH2:87]1[O:88][CH2:89][CH2:90][CH2:91]1.[CH3:92][OH:93].[ClH:86].[Li+:85].[NH:63]1[CH2:64][CH2:65][CH:66]([N:67]2[CH2:68][CH2:69][CH2:70][CH:71]2[CH2:72][O:73][C:74](=[O:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[CH2:82][CH2:83]1.[OH-:84]>>[Br:1][c:2]1[c:3]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([N:27]3[CH:28]([CH2:32][OH:33])[CH2:29][CH2:30][CH2:31]3)[CH2:25][CH2:26]2)[n:4]([CH3:18])[c:5](-[c:7]2[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]2)[n:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 671331915-bromo-3-methyl-2-(3-trifluoromethoxy-phenyl)-3H-imidazole-4-carboxylic acidHCID 178479940HCID 178479940, compoundHCID 178525182(1-piperidin-4-ylpyrrolidin-2-yl)methyl benzoate

Product 1

HCID 67133256[5-Bromo-3-methyl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

Sources & evidence

ORD record
ord-f72d4ebb33fc4b32a58e87b2e7fdbd6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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