Ethanol → Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorobiphenyl-4-yl)acetate

HRID 309588Notes

Reaction equation

HRID 309588 reaction equation
[CH3:1][c:2]1[c:3]([C:24](=[O:25])[NH2:26])[n:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([B:15]3[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]3)[cH:13][cH:14]2)[c:6]([CH3:8])[n:7]1.[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[CH3:64][CH2:65][OH:66].[Cl:55][CH2:56][Cl:57].[F:27][c:28]1[cH:29][c:30]([CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:31][cH:32][c:33]1[O:34][S:35]([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41].[K+:52].[K+:53].[K+:54].[OH2:67].[P:47]([O-:48])([O-:49])([O-:50])=[O:51]>>[CH3:1][c:2]1[c:3]([C:24](=[O:25])[NH2:26])[n:4][c:5](-[c:9]2[cH:10][cH:11][c:12](-[c:33]3[c:28]([F:27])[cH:29][c:30]([CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:31][cH:32]3)[cH:13][cH:14]2)[c:6]([CH3:8])[n:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 59627703Methyl 2-(3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl)acetateHCID 596277103,5-Dimethyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrazine-2-carboxamide

Product 1

HCID 59627677Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorobiphenyl-4-yl)acetate

Sources & evidence

ORD record
ord-9b94f74e5e5e40aeaa79138d79f84de5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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