1-Octanol → HCID 53746435, compound

HRID 1149423Notes

Reaction equation

HRID 1149423 reaction equation
[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[OH:29].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]2[n:7][c:8]([C:11]([F:12])([F:13])[F:14])[nH:9][c:10]12.[Na:20]>>[c:2]1([O:29][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:3]([C:18]#[N:19])[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]2[n:7][c:8]([C:11]([F:12])([F:13])[F:14])[nH:9][c:10]12

Participants

4

Reactant 3

HCID 9571-OctanolHCID 5360545SodiumHCID 135783926HCID 135783926, compound

Product 1

HCID 53746435HCID 53746435, compound

Sources & evidence

ORD record
ord-1404b0e0fb7d42a89aeb6443caec3f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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