Bicarbonate Ion → 5-fluoro-2-phenoxymethyl-6-piperazin-1-yl-1-(4-trifluoromethoxy-benzyl)-1H-benzoimidazole

HRID 293617

Reaction equation

HRID 293617 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][c:19]([CH2:33][O:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:41][c:42]2[F:43])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:51](=[O:52])([OH:53])[O-:54].[Na+:55].[OH2:56].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][c:19]([CH2:33][O:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:41][c:42]2[F:43])[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 684669874-[6-fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 684671025-fluoro-2-phenoxymethyl-6-piperazin-1-yl-1-(4-trifluoromethoxy-benzyl)-1H-benzoimidazole

Sources & evidence

ORD record
ord-a07e7bef83b34e0a8eab4292206dbccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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