Potassium Cation → Darusentan, (+/-)-

HRID 1132053Notes

Reaction equation

HRID 1132053 reaction equation
[CH3:1][O:2][c:3]1[n:4][c:5]([O:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[O:30][CH3:31])[n:6][c:7]([O:9][CH3:10])[cH:8]1.[K+:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH-:32].[OH2:40]>>[CH3:1][O:2][c:3]1[n:4][c:5]([O:11][CH:12]([C:13](=[O:14])[OH:15])[C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[O:30][CH3:31])[n:6][c:7]([O:9][CH3:10])[cH:8]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 10717204Methyl 2-(4,6-dimethoxy-pyrimidin-2-yloxy)-3-methoxy3,3-diphenylpropionate

Product 1

HCID 9953358Darusentan, (+/-)-

Sources & evidence

ORD record
ord-9d6d41daf45c4d298cd5f2c6e7134573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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