Toluene → HCID 19838853, compound

HRID 312804Notes

Reaction equation

HRID 312804 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:20])([CH3:21])[CH:10]1[C:11]#[C:12][C:13]([O:14][CH2:15][CH:16]([F:17])[F:18])=[O:19].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[O:5]=[C:6]([OH:7])[CH:8]1[C:9]([CH3:20])([CH3:21])[CH:10]1[C:11]#[C:12][C:13]([O:14][CH2:15][CH:16]([F:17])[F:18])=[O:19]

Participants

4

Sources & evidence

ORD record
ord-244a578bbabe4bdaaa5c299621aa29cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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