Acetic Acid → tert-Butyl 4-(2-chloro-5-nitrophenylamino)piperidine-1-carboxylate

HRID 2328854Notes

Reaction equation

HRID 2328854 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([N+:9](=[O:10])[O-:11])[cH:7][cH:8]1.[Cl:44][CH:45]([Cl:46])[CH3:47].[Na+:43].[Na+:50].[O:12]=[C:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[OH-:49].[OH2:48]>>[Cl:1][c:2]1[c:3]([NH:4][CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:5][c:6]([N+:9](=[O:10])[O-:11])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 63651,1-DichloroethaneHCID 226912-Chloro-5-nitroanilineHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 2724942Triacetoxyborohydride

Product 1

HCID 59144150tert-Butyl 4-(2-chloro-5-nitrophenylamino)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-cef4de598a784c409fb55a5a8ffc5c5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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