Octane → Chloride

HRID 2161619Notes

Reaction equation

HRID 2161619 reaction equation
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[CH3:39][OH:40].[CH:9]([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([CH2:16][Cl:17])[cH:18][cH:19]1.[c:20]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH:9]([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([CH2:16][P+:26]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:18][cH:19]1.[Cl-:17]

Participants

6

Reactant 4

HCID 356OctaneHCID 887MethanolHCID 11776TriphenylphosphineHCID 749164-Isopropylbenzyl chloride

Product 2

HCID 312ChlorideHCID 10576519HCID 10576519, compound

Sources & evidence

ORD record
ord-e170345f77a244d7b173b113e4afc959
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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