Ammonium → 2-Chloro-9-cyclopentyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 282035Notes

Reaction equation

HRID 282035 reaction equation
[CH3:26][CH2:27][OH:28].[CH:1]1([N:6]([CH2:7][CH2:8][C:9](=[O:10])[O:20][CH3:21])[c:13]2[n:14][c:15]([Cl:22])[n:16][cH:17][c:18]2[N+:19]([O-:11])=[O:12])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:23].[Fe:25].[NH4+:24].[OH2:29]>>[CH:1]1([N:6]2[CH2:7][CH2:8][C:9](=[O:10])[NH:19][c:18]3[c:13]2[n:14][c:15]([Cl:22])[n:16][cH:17]3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 23925IronHCID 57940528Methyl 3-[cyclopentyl(2-chloro-5-nitropyrimidin-4-yl)amino]propanoate

Product 1

HCID 579403592-Chloro-9-cyclopentyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-5d59f217ad6b4af8ada2bcc21ae4beac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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