Acetonitrile → 2-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

HRID 140067Notes

Reaction equation

HRID 140067 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH:24]1[CH:25]2[S:26][CH2:27][C:28]([CH3:36])=[C:29]([C:33](=[O:34])[OH:35])[N:30]2[C:31]1=[O:32].[CH3:37][C:38]#[N:39].[c:1]1([C:7](=[N+:8]=[N-:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[O:35][C:33]([C:29]2=[C:28]([CH3:36])[CH2:27][S:26][CH:25]3[CH:24]([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[C:31](=[O:32])[N:30]32)=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 612301,1'-(Diazomethylene)bis(benzene)HCID 128967587-tert.-Butoxycarbonylamino-2-carboxy-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene

Product 1

HCID 128967622-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

Sources & evidence

ORD record
ord-e7d1e6d3c9ae41b6af9efb5466a0574a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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