Ethanol → Tert-butyl 1-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzoazepine-4-carboxylate

HRID 93570Notes

Reaction equation

HRID 93570 reaction equation
[B:1]([O-:2])([O-:10])[O:11][c:3]1[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1.[Br:12][c:13]1[cH:14][cH:15][c:16]2[c:17]([cH:31]1)[CH:18]=[C:19]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:20][CH2:21][N:22]2[CH3:23].[C:32](=[O:33])([O-:34])[O-:35].[CH2:45]([OH:46])[CH3:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[K+:36].[K+:37].[OH2:48].[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:3]1(-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:31]2)[CH:18]=[C:19]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:20][CH2:21][N:22]3[CH3:23])[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18472450HCID 18472450, compoundHCID 866453334-Methylphenyl borate

Product 1

HCID 18472637Tert-butyl 1-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzoazepine-4-carboxylate

Sources & evidence

ORD record
ord-431442dacee449808339c196d5c83c2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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