Cyclohexanemethanol → HCID 68799259, compound

HRID 1213529Notes

Reaction equation

[CH:31]1([CH2:37][OH:38])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[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][CH2:37][CH:31]5[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]5)[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 7507Cyclohexanemethanol

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 68799259HCID 68799259, compound

Sources & evidence

ORD record: ord-bbe282b113ec4c48969b66079a076cc2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…