1,2-Dichloroethane → Methyl 5-chloro-2-(cyclohexylamino)benzoate

HRID 682630Notes

Reaction equation

HRID 682630 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[C:8]([O:9][BH-:10]([O:11][C:12](=[O:13])[CH3:14])[O:15][C:16](=[O:17])[CH3:18])(=[O:19])[CH3:20].[Cl:38][CH2:39][CH2:40][Cl:41].[NH2:22][c:23]1[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([Cl:33])[cH:31][cH:32]1.[Na+:21].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[CH:2]1([NH:22][c:23]2[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 7967CyclohexanoneHCID 78878Methyl 2-amino-5-chlorobenzoateHCID 2724942Triacetoxyborohydride

Product 1

HCID 12329834Methyl 5-chloro-2-(cyclohexylamino)benzoate

Sources & evidence

ORD record
ord-dbb0874a55e641c5972a886ec705a289
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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