Bicarbonate Ion → [5-(2-Hydroxy-pyrimidin-5-yl)-3-methyl-2-(4-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

HRID 160530Notes

Reaction equation

[B:38]([Br:39])([Br:40])[Br:41].[C:42](=[O:43])([O-:44])[OH:45].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6](-[c:9]2[c:10]([C:25](=[O:26])[N:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[CH2:31][CH2:32]3)[n:11]([CH3:24])[c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:7][n:8]1.[Na+:46]>>[OH:2][c:3]1[n:4][cH:5][c:6](-[c:9]2[c:10]([C:25](=[O:26])[N:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[CH2:31][CH2:32]3)[n:11]([CH3:24])[c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:7][n:8]1

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 25134Boron tribromide

HCID 57541105[5-(2-Methoxy-pyrimidin-5-yl)-3-methyl-2-(4-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 178479936[5-(2-Hydroxy-pyrimidin-5-yl)-3-methyl-2-(4-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Sources & evidence

ORD record: ord-019a3144f9fe4ae1b7f6e281193728a8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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