Ammonium → HCID 67065144, compound

HRID 691468Notes

Reaction equation

HRID 691468 reaction equation
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH:28]=[CH:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:12]1)=[O:40].[CH3:43][OH:44].[Cl-:41].[NH4+:42].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH:28]=[CH:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:12]1)[OH:40]

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 67065055Methyl 2-[5-[4-[3-[4-[2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate

Product 1

HCID 67065144HCID 67065144, compound

Sources & evidence

ORD record
ord-6d89503728b042e0b0f5345df086cfc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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