Ammonium → tert-butyl 4-(5-vinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

HRID 2349865Notes

Reaction equation

HRID 2349865 reaction equation
[CH3:54][C:55]#[N:56].[CH:14]([O-:15])=[O:16].[CH:18]([NH2:19])=[O:20].[CH:21](=[CH2:22])[CH:23]1[CH2:24][CH2:25][c:26]2[n:27][cH:28][nH:29][c:30](=[O:32])[c:31]21.[K+:39].[N:40]1([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[NH2:1][C:2]1=[C:8]([C:9]([O:10][CH2:11][CH3:12])=[O:13])[CH:5]([CH:6]=[CH2:7])[CH2:4][CH2:3]1.[NH4+:17].[OH-:38].[OH2:53].[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37]>>[CH:21](=[CH2:22])[CH:23]1[CH2:24][CH2:25][c:26]2[n:27][cH:28][n:29][c:30]([N:43]3[CH2:42][CH2:41][N:40]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:45][CH2:44]3)[c:31]21

Participants

12

Reactant 11

HCID 223AmmoniumHCID 283FormateHCID 713FormamideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 59682828Ethyl 2-amino-5-vinylcyclopent-1-enecarboxylateHCID 1360244705-vinyl-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one

Product 1

HCID 59682822tert-butyl 4-(5-vinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-72818c56be66406199455ca67d75f35e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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