Ammonium → Tert-butyl 3-((5-amino-6-(dibenzylamino)pyrimidin-4-YL)amino)azetidine-1-carboxylate

HRID 1144599

Reaction equation

HRID 1144599 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([N+:27]([O-:28])=[O:29])[c:11]([NH:15][CH:16]2[CH2:17][N:18]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]2)[n:12][cH:13][n:14]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl-:37].[NH4+:38].[Zn:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([NH2:27])[c:11]([NH:15][CH:16]2[CH2:17][N:18]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]2)[n:12][cH:13][n:14]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 8857Ethyl AcetateHCID 23994ZincHCID 89455071Tert-butyl 3-((6-(dibenzylamino)-5-nitropyrimidin-4-YL)amino)azetidine-1-carboxylate

Product 1

HCID 89455167Tert-butyl 3-((5-amino-6-(dibenzylamino)pyrimidin-4-YL)amino)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-971a473cec094c9eb3553de963eb0993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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