Hydrochloric Acid → Tolvaptan

HRID 154692

Reaction equation

HRID 154692 reaction equation
[BH4-:33].[CH3:36][OH:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[C:7](=[O:31])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[c:14]([CH3:29])[cH:15][c:16]([NH:19][C:20]([c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:30].[ClH:35].[Na+:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]([OH:31])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[c:14]([CH3:29])[cH:15][c:16]([NH:19][C:20]([c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:30]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 113628435-Dehydro Tolvaptan

Product 1

HCID 216237Tolvaptan

Sources & evidence

ORD record
ord-cd7aaa4120244d1ba60728d458a2daad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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