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

HRID 1201534Notes

Reaction equation

HRID 1201534 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:35][c:36]1[cH:37][c:38]([CH2:50][C:51](=[O:52])[O:53][CH3:54])[cH:39][cH:40][c:41]1[O:42][S:43]([C:44]([F:45])([F:46])[F:47])(=[O:48])=[O:49].[Cl:55][CH2:56][Cl:57].[K+:32].[K+:33].[K+:34].[OH2:67].[P:27]([O-:28])([O-:29])([O-:30])=[O:31]>>[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:41]3[c:36]([Cl:35])[cH:37][c:38]([CH2:50][C:51](=[O:52])[O:53][CH3:54])[cH:39][cH:40]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 3564187Methyl 2-[3-chloro-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 59627714Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)acetate

Sources & evidence

ORD record
ord-d7bf554d319b4117ac30019a7b125f8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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