Methanol → 1-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}pyrrolidine-3-carboxylic acid

HRID 186345Notes

Reaction equation

HRID 186345 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[N:26]1[CH2:27][CH:28]([C:31](=[O:32])[O:33][CH3:34])[CH2:29][CH2:30]1)[cH:22]2.[CH3:35][OH:36].[Na+:2].[OH-:1].[OH2:37]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[N:26]1[CH2:27][CH:28]([C:31](=[O:32])[OH:33])[CH2:29][CH2:30]1)[cH:22]2

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 57937292HCID 57937292, compound

Product 1

HCID 579373041-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}pyrrolidine-3-carboxylic acid

Sources & evidence

ORD record
ord-64b989abbae3403cbc10b071cb57788d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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