2-Ethylhexanol → HCID 19006784, compound

HRID 1145905Notes

Reaction equation

HRID 1145905 reaction equation
[CH2:31]([CH3:32])[CH:33]([CH2:34][OH:35])[CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][CH:41]([CH3:42])[CH2:43][CH2:44][OH:45].[Cl:15][c:16]1[n:17][c:18]([S:23][c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[n:19][c:20]([Cl:22])[cH:21]1.[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[n:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:14]1>>[c:16]1([O:35][CH2:34][CH:33]([CH2:31][CH3:32])[CH2:36][CH2:37][CH2:38][CH3:39])[n:17][c:18]([S:23][c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[n:19][c:20]([Cl:22])[cH:21]1

Participants

5

Reactant 4

HCID 77202-EthylhexanolHCID 31260Isoamyl AlcoholHCID 77338FenclorimHCID 19006778HCID 19006778, compound

Product 1

HCID 19006784HCID 19006784, compound

Sources & evidence

ORD record
ord-42f38d93a14849a489506eceb8e4d55a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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