Ethanol → 4-(2-Amino-3-benzylamino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 2324036Notes

Reaction equation

HRID 2324036 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([N+:28]([O-:29])=[O:30])[c:16]([NH:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:39][CH2:40][OH:41].[Na+:37].[Na+:38].[OH2:42].[S:31]([S:32]([O-:33])=[O:34])([O-:35])=[O:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([NH2:28])[c:16]([NH:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 578349694-(3-Benzylamino-2-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 578349834-(2-Amino-3-benzylamino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-80fe7bcb9f3e4b1c910ea3349b8b2ca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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