Methanol → tert-butyl N-[2-[[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

HRID 202212Notes

Reaction equation

HRID 202212 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][N:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]3)[CH2:21][CH2:22]2)[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1.[CH3:42][OH:43].[OH-:39].[OH-:40].[Pd+2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22]2)[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1

Participants

5

Reactant 4

HCID 887MethanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18426196tert-butyl N-[2-[[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Product 1

HCID 18426286tert-butyl N-[2-[[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Sources & evidence

ORD record
ord-66fb788536f7414881ed441192c08423
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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