Water → HCID 178452261, compound

HRID 1127080Notes

Reaction equation

HRID 1127080 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:33][C:34]#[N:35].[Cl:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[OH2:32]>>[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 53244122,6-Dichloropurine

Product 1

HCID 178452261HCID 178452261, compound

Sources & evidence

ORD record
ord-a89919e1819f4c7698f1d92f1fac3262
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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