Acetate → N-[1-[4-[3-(4-ethoxy-2-fluorophenoxy)azetidin-1-yl]phenyl]ethyl]acetamide

HRID 2321629Notes

Reaction equation

HRID 2321629 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH2:14]([CH3:15])[O:16][c:17]1[cH:18][c:19]([F:28])[c:20]([O:21][CH:22]2[CH2:23][NH:24][CH2:25]2)[cH:26][cH:27]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][C:44]([OH:45])([CH3:46])[CH3:47].[CH3:57][OH:58].[Cs+:33].[Cs+:34].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:35].[Pd+2:48]>>[c:2]1([N:24]2[CH2:23][CH:22]([O:21][c:20]3[c:19]([F:28])[cH:18][c:17]([O:16][CH2:14][CH3:15])[cH:27][cH:26]3)[CH2:25]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 887MethanolHCID 962WaterHCID 1140TolueneHCID 6386tert-ButanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2854373N-[1-(4-bromophenyl)ethyl]acetamideHCID 866890183-(4-Ethoxy-2-fluoro-phenoxy)-azetidine

Product 1

HCID 89654580N-[1-[4-[3-(4-ethoxy-2-fluorophenoxy)azetidin-1-yl]phenyl]ethyl]acetamide

Sources & evidence

ORD record
ord-0445e544ce5a4d948b1bec82cd9749c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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