Ethanol → methyl 1-(t-butoxycarbonyl)-7-(4-ethoxy-3-fluorophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

HRID 135364Notes

Reaction equation

HRID 135364 reaction equation
[B:1]([O-:2])([O-:13])[O:14][c:3]1[cH:4][c:5]([F:12])[c:6]([O:9][CH2:10][CH3:11])[cH:7][cH:8]1.[Br:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:37]1)[CH:21]=[C:22]([C:33](=[O:34])[O:35][CH3:36])[CH2:23][CH2:24][N:25]2[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[C:38](=[O:39])([O-:40])[O-:41].[CH2:51]([OH:52])[CH3:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[K+:42].[K+:43].[OH2:54].[c:44]1([CH3:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:3]1(-[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:37]2)[CH:21]=[C:22]([C:33](=[O:34])[O:35][CH3:36])[CH2:23][CH2:24][N:25]3[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:4][c:5]([F:12])[c:6]([O:9][CH2:10][CH3:11])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 22329270HCID 22329270, compoundHCID 867567834-Ethoxy-3-fluorophenyl borate

Product 1

HCID 22329117methyl 1-(t-butoxycarbonyl)-7-(4-ethoxy-3-fluorophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Sources & evidence

ORD record
ord-bcd5af875fcf4314a7472138ecff0720
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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