Toluene → HCID 59750756, compound

HRID 2328135Notes

Reaction equation

[C:26]([CH:27]=[P:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])#[N:41].[CH3:20][CH:21]([CH2:22][CH2:23][CH3:24])[OH:25].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH2:11][c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[CH:21]([CH3:20])[CH2:22][CH2:23][CH3:24])[cH:6][cH:7]1

Participants

Reactant 4

HCID 1140Toluene

HCID 223862-Pentanol

HCID 4622928Cyanomethylenetributylphosphorane

HCID 99010282-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene

Product 1

HCID 59750756HCID 59750756, compound

Sources & evidence

ORD record: ord-92e5304c28a84f048b462bfd5f2956ef
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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