Potassium Cation → 3-(4-(2-Cyclopropyl-1-oxoisoindolin-5-yl)benzyl)-1-methylimidazoline-2,4-dione

HRID 165462Notes

Reaction equation

HRID 165462 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][N:29]2[C:30](=[O:36])[N:31]([CH3:35])[CH2:32][C:33]2=[O:34])[cH:37][cH:38]1.[CH:1]1([N:4]2[C:5](=[O:22])[c:6]3[cH:7][cH:8][c:9]([B:13]4[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]4)[cH:10][c:11]3[CH2:12]2)[CH2:2][CH2:3]1.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:72][CH2:73][Cl:74].[K+:63].[K+:64].[K+:65].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[OH2:75].[P:58]([O-:59])([O-:60])([O-:61])=[O:62]>>[CH:1]1([N:4]2[C:5](=[O:22])[c:6]3[cH:7][cH:8][c:9](-[c:24]4[cH:25][cH:26][c:27]([CH2:28][N:29]5[C:30](=[O:36])[N:31]([CH3:35])[CH2:32][C:33]5=[O:34])[cH:37][cH:38]4)[cH:10][c:11]3[CH2:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 594023502-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-oneHCID 606247733-[(4-Bromophenyl)methyl]-1-methylimidazolidine-2,4-dione

Product 1

HCID 529318563-(4-(2-Cyclopropyl-1-oxoisoindolin-5-yl)benzyl)-1-methylimidazoline-2,4-dione

Sources & evidence

ORD record
ord-bafb8995709a4d3aa98fd845f2fd7e2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…