Ammonia → Tert-butyl 4-(1-aminopropyl)-2-nitrobenzoate

HRID 1127211Notes

Reaction equation

HRID 1127211 reaction equation
[BH4-:21].[CH2:25]([OH:26])[CH3:27].[CH:29]([O:30][Ti:31]([O:32][CH:33]([CH3:34])[CH3:35])([O:36][CH:37]([CH3:38])[CH3:39])[O:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14][c:15]([C:17]([CH2:18][CH3:19])=[O:20])[cH:16]1.[NH3:24].[NH3:28].[Na+:22].[OH2:23]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14][c:15]([CH:17]([CH2:18][CH3:19])[NH2:24])[cH:16]1

Participants

8

Reactant 7

HCID 222Ammonia2×HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 28123BorohydrideHCID 66935244Tert-butyl 2-nitro-4-propionylbenzoateHCID 178460666HCID 178460666, compound

Product 1

HCID 67461906Tert-butyl 4-(1-aminopropyl)-2-nitrobenzoate

Sources & evidence

ORD record
ord-7c45ae599abc4bf5958fa771ef8955bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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