Acetate → 8-Benzyl-3-cyclopropyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

HRID 202125Notes

Reaction equation

HRID 202125 reaction equation
[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([n:15][cH:16][c:17]([Cl:19])[n:18]2)[CH2:14]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH:20]1([B:23]([OH:24])[OH:25])[CH2:21][CH2:22]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30]2)[CH:31]2[CH2:32][CH2:33]2)[CH2:34][CH2:35]1.[K+:41].[OH2:58].[Pd+2:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([n:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22]3)[n:18]2)[CH2:14]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 45749132-Methylpropan-2-olateHCID 12716772TricyclopropylphosphaneHCID 866489818-Benzyl-3-chloro-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

Product 1

HCID 669933158-Benzyl-3-cyclopropyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

Sources & evidence

ORD record
ord-621745dfdd244fb5bd2b8dde86564a76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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