Acetate → 8-cyclopropyl-3,4-dihydro-1H-1-benzazepine-2,5-dione

HRID 679344Notes

Reaction equation

HRID 679344 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:17]1([B:20]([OH:21])[OH:22])[CH2:18][CH2:19]1.[I:1][c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[C:6](=[O:12])[CH2:7][CH2:8][C:9](=[O:11])[NH:10]2.[K+:28].[K+:29].[K+:30].[N:15]#[N:16].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:38].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[Pd+2:39]>>[c:2]1([CH:17]2[CH2:18][CH2:19]2)[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[C:6](=[O:12])[CH2:7][CH2:8][C:9](=[O:11])[NH:10]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 947NitrogenHCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 584766238-iodo-2,3,4,5-tetrahydro-1H-1-benzazepine-2,5-dione

Product 1

HCID 673379238-cyclopropyl-3,4-dihydro-1H-1-benzazepine-2,5-dione

Sources & evidence

ORD record
ord-79c9da50fd7b4b96a108768e24b45337
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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