Toluene → [4,5-diacetyloxy-6-(3-cyanophenoxy)thian-3-yl] acetate

HRID 160998

Reaction equation

HRID 160998 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([Br:19])[S:7][CH2:8][CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][C:37]#[N:38].[O:39]=[Zn:40].[OH:20][c:21]1[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:20][c:21]2[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]2)[S:7][CH2:8][CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]

Participants

6

Reactant 5

HCID 1140TolueneHCID 6342AcetonitrileHCID 133943-CyanophenolHCID 14806DesitinHCID 14374025(3S,4S,5R,6S)-4,5-bis(acetyloxy)-6-bromothian-3-yl acetate

Product 1

HCID 178475693[4,5-diacetyloxy-6-(3-cyanophenoxy)thian-3-yl] acetate

Sources & evidence

ORD record
ord-11c8fdf1aaf54b78b8a78059c993f454
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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