Acetate → tert-butyl 3-(2,5-difluorophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate

HRID 316223

Reaction equation

HRID 316223 reaction equation
[B-:13]([F:14])([F:15])([F:16])[F:17].[C:50]([Cl:51])([Cl:52])([Cl:53])[Cl:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[F:18][c:19]1[c:20]([N+:26]#[N:27])[cH:21][c:22]([F:25])[cH:23][cH:24]1.[F:36][C:37]([F:38])([F:39])[C:40]([O:41][C:42](=[O:43])[C:44]([F:45])([F:46])[F:47])=[O:48].[N:1]1([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:2][CH:3]=[CH:4][CH2:5]1.[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:49].[Pd+2:62].[n:28]1[c:29]([CH3:30])[cH:31][cH:32][cH:33][c:34]1[CH3:35]>>[N:1]1([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:2][CH:3]([c:20]2[c:19]([F:18])[cH:24][cH:23][c:22]([F:25])[cH:21]2)[CH:4]=[CH:5]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 5943Carbon TetrachlorideHCID 79372,6-LutidineHCID 9845Trifluoroacetic anhydrideHCID 26255TetrafluoroborateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 35713262,5-DifluorobenzenediazoniumHCID 5148195tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate

Product 1

HCID 59001787tert-butyl 3-(2,5-difluorophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate

Sources & evidence

ORD record
ord-9af94470171a4d8fa56447c3734aa433
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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