2-Methylcyclohexanol → HCID 178424401, compound

HRID 302051Notes

Reaction equation

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

Participants

Reactant 3

HCID 114182-Methylcyclohexanol

HCID 44297362Ethyl 14-chloro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

HCID 178511842HCID 178511842, compound

Product 1

HCID 178424401HCID 178424401, compound

Sources & evidence

ORD record: ord-6faace4b7c0d4ffd926afb4764273678
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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