Water → Hexanoic Acid

HRID 2316365Notes

Reaction equation

HRID 2316365 reaction equation
[C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:30])[O:31][C:32](=[O:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[C:7]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][OH:16])[n:13][n:14]1.[OH2:39]>>[C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:30])[OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[C:7]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][OH:16])[n:13][n:14]1

Participants

5

Reactant 3

HCID 962WaterHCID 74918Hexanoic anhydrideHCID 162244alpha-Hydroxyalprazolam

Product 2

HCID 8892Hexanoic AcidHCID 162244alpha-Hydroxyalprazolam

Sources & evidence

ORD record
ord-c089531c73004b22b99de37bee9ad1cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…