1,2-Dichloroethane → Tert-butyl 2-chloro-5-nitrobenzoate

HRID 1214557Notes

Reaction equation

HRID 1214557 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[Cl:29][CH2:30][CH2:31][Cl:32].[K+:28].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:18]=[CH:19][N:20]([CH3:21])[CH3:22].[S:14]([Cl:15])([Cl:16])=[O:17]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][C:24]([CH3:23])([CH3:25])[CH3:27])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 172872-Chloro-5-nitrobenzoic acidHCID 24386Thionyl ChlorideHCID 45749132-Methylpropan-2-olate

Product 1

HCID 10729867Tert-butyl 2-chloro-5-nitrobenzoate

Sources & evidence

ORD record
ord-1a68146dba2441708c23259457cc82bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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