Water → Methyl 2'-cyano-3-methoxybiphenyl-4-carboxylate

HRID 1238809Notes

Reaction equation

HRID 1238809 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:12][CH3:13])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:14](#[N:15])[c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cs+:29].[Cs+:30].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:42]>>[c:2]1(-[c:17]2[c:16]([C:14]#[N:15])[cH:21][cH:20][cH:19][cH:18]2)[cH:3][c:4]([O:12][CH3:13])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27346102-Cyanophenylboronic acidHCID 15128242Methyl 4-bromo-2-methoxybenzoate

Product 1

HCID 67009848Methyl 2'-cyano-3-methoxybiphenyl-4-carboxylate

Sources & evidence

ORD record
ord-42e3a749e8e54144b9cd00eb338b29a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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