Acetate → 4-Chloro-2,5-diamino-6-neopentyl-pyrimidine

HRID 313584Notes

Reaction equation

HRID 313584 reaction equation
[CH3:15][C:16](=[O:17])[O-:18].[CH3:19][C:20](=[O:21])[OH:22].[Cl:30][c:31]1[cH:32][cH:33][c:34]([N+:37]#[N:35])[cH:36][cH:38]1.[NH2:1][c:2]1[n:3][c:4]([CH2:9][C:10]([CH3:11])([CH3:12])[CH3:13])[cH:5][c:6]([Cl:8])[n:7]1.[Na+:14].[OH2:39].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[Zn:40]>>[NH2:1][c:2]1[n:3][c:4]([CH2:9][C:10]([CH3:11])([CH3:12])[CH3:13])[c:5]([NH2:37])[c:6]([Cl:8])[n:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 9886HexafluorophosphateHCID 23994ZincHCID 87060Benzenediazonium, 4-chloro-HCID 222749822-Amino-4-chloro-6-neopentylpyrimidine

Product 1

HCID 222749464-Chloro-2,5-diamino-6-neopentyl-pyrimidine

Sources & evidence

ORD record
ord-6890db00712d42cd8fa36bc266fb0b6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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