Acetone → 2-(1-Bromo-6-{[(4-cyclohexyl-benzoyl)-methyl-amino]-methyl}-naphthalen-2-yloxy)-3-phenyl-propionic acid methyl ester

HRID 296360Notes

Reaction equation

HRID 296360 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH2:13][N:14]([C:15]([c:16]3[cH:17][cH:18][c:19]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:20][cH:21]3)=[O:28])[CH3:29])[cH:7][c:8]2[cH:9][cH:10][c:11]1[OH:12].[C:50](=[O:51])([O-:52])[O-:53].[CH3:30][O:31][C:32]([CH:33]([CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][S:42]([C:43]([F:44])([F:45])[F:46])(=[O:47])=[O:48])=[O:49].[CH3:56][C:57](=[O:58])[CH3:59].[Cs+:54].[Cs+:55]>>[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH2:13][N:14]([C:15]([c:16]3[cH:17][cH:18][c:19]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:20][cH:21]3)=[O:28])[CH3:29])[cH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][CH:33]([C:32]([O:31][CH3:30])=[O:49])[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 13388932alpha-(Trifluoromethylsulfonyloxy)hydrocinnamic acid methyl esterHCID 18505343N-(5-bromo-6-hydroxy-naphthalen-2-ylmethyl)-4-cyclohexyl-N-methyl-benzamide

Product 1

HCID 691377602-(1-Bromo-6-{[(4-cyclohexyl-benzoyl)-methyl-amino]-methyl}-naphthalen-2-yloxy)-3-phenyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-13103df47e004d8097468f6883558cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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