3-Pentanol → HCID 68798445, compound

HRID 204547Notes

Reaction equation

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

Participants

Reactant 2

HCID 114283-Pentanol

HCID 24983760(+/-)(3SR,3aRS)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

Product 1

HCID 68798445HCID 68798445, compound

Sources & evidence

ORD record: ord-8a52b52544ab47df9cb8607f5e32bc4f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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