Sodium ion → Warfarin alcohol

HRID 198295Notes

Reaction equation

HRID 198295 reaction equation
[Al+3:25].[CH3:1][C:2](=[O:3])[CH2:4][CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[o:21][c:22]1=[O:23].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26].[Na+:32].[OH-:31].[OH2:30]>>[CH3:1][CH:2]([OH:3])[CH2:4][CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[o:21][c:22]1=[O:23]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 54678486Warfarin

Product 1

HCID 54712717Warfarin alcohol

Sources & evidence

ORD record
ord-e0f2c751f3044b089b69c86e02f99ce4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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