Bicarbonate Ion → Benzyl (3,4,5-trifluorophenyl)acetate

HRID 1206483Notes

Reaction equation

HRID 1206483 reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[CH2:38]([Cl:39])[Cl:40].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:8][C:9](=[O:10])[O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[F:19][c:20]1[cH:21][c:22]([CH2:28][C:29]([OH:30])=[O:31])[cH:23][c:24]([F:27])[c:25]1[F:26].[Na+:37].[OH2:32]>>[C:9](=[O:10])([O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:28][c:22]1[cH:21][c:20]([F:19])[c:25]([F:26])[c:24]([F:27])[cH:23]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 142844-(Dimethylamino)pyridineHCID 27779523,4,5-Trifluorophenylacetic acid

Product 1

HCID 86628508Benzyl (3,4,5-trifluorophenyl)acetate

Sources & evidence

ORD record
ord-f643a10bd3324769b880e75fe1c398d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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