Potassium Cation → Methyl 1-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)cyclobutanecarboxylate

HRID 161935Notes

Reaction equation

HRID 161935 reaction equation
[CH3:58][OH:59].[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[Cl:26][c:27]1[cH:28][c:29]([C:42]2([C:46](=[O:47])[O:48][CH3:49])[CH2:43][CH2:44][CH2:45]2)[cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([C:21]([NH2:22])=[O:23])[c:16]([CH3:20])[n:17][c:18]2[CH3:19])[cH:11][cH:12]1)(=[O:24])=[O:25].[K+:55].[K+:56].[K+:57].[OH2:66].[P:50]([O-:51])([O-:52])([O-:53])=[O:54]>>[c:7]1(-[c:32]2[c:27]([Cl:26])[cH:28][c:29]([C:42]3([C:46](=[O:47])[O:48][CH3:49])[CH2:43][CH2:44][CH2:45]3)[cH:30][cH:31]2)[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([C:21]([NH2:22])=[O:23])[c:16]([CH3:20])[n:17][c:18]2[CH3:19])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 887MethanolHCID 962WaterHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 59627692Methyl 1-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarboxylateHCID 596277294-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl trifluoromethanesulfonate

Product 1

HCID 59627699Methyl 1-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)cyclobutanecarboxylate

Sources & evidence

ORD record
ord-bd64575559cf4f5fa398c00f5ce42c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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