Acetonitrile → HCID 178468997, compound

HRID 1130318Notes

Reaction equation

HRID 1130318 reaction equation
[CH3:32][C:33]#[N:34].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[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.[NH:12]1[CH2:13][CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH2:21][CH2:22]1>>[Cl:1][c:2]1[n:3][c:4]([N:12]2[CH2:13][CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH2:21][CH2:22]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 98969Ethyl nipecotateHCID 53244122,6-Dichloropurine

Product 1

HCID 178468997HCID 178468997, compound

Sources & evidence

ORD record
ord-382b84b1caf5476d9aee319cccb90316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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