Sodium ion → Methyl 3-methyl-4'-nitrobiphenyl-4-carboxylate

HRID 188402Notes

Reaction equation

HRID 188402 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:25](=[O:26])([O-:27])[O-:28].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:31][CH2:32][Cl:33].[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[Na+:29].[Na+:30].[OH2:47]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:21][cH:20]2)[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27735524-Nitrophenylboronic acidHCID 22031226Methyl 4-bromo-2-methylbenzoate

Product 1

HCID 59385226Methyl 3-methyl-4'-nitrobiphenyl-4-carboxylate

Sources & evidence

ORD record
ord-2bea986d19a945fb858bb8014f5f7c52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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