Acetonitrile → 7-[3-(Tert-butyloxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carbonitrile

HRID 2133483Notes

Reaction equation

HRID 2133483 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[CH:1]1([n:4]2[cH:5][c:6]([C:18]#[N:19])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18]#[N:19])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:30]4[CH2:29][CH:28]([NH:27][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 143023471-Cyclopropyl-3-cyano-1,4-dihydro-4-oxo-6,7,8-trifluoroquinoline

Product 1

HCID 143023487-[3-(Tert-butyloxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carbonitrile

Sources & evidence

ORD record
ord-80d3795005164b6ea56aab388e840889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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