Ammonium → 4-Cyclopentylamino-5-(4-phenyl-but-1-ynyl)-pyrimidine-2-carbonitrile

HRID 1233555Notes

Reaction equation

HRID 1233555 reaction equation
[Br:1][c:2]1[c:3]([NH:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)[n:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl-:33].[Cu:76][I:77].[NH4+:34].[Pd:35]([Cl:36])[Cl:37].[c:16]1([CH2:22][CH2:23][C:24]#[CH:25])[cH:17][cH:18][cH:19][cH:20][cH:21]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([C:25]#[C:24][CH2:23][CH2:22][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:3]([NH:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)[n:4][c:5]([C:8]#[N:9])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 1233604-Phenyl-1-butyneHCID 686474045-Bromo-4-cyclopentylamino-pyrimidine-2-carbonitrile

Product 1

HCID 102452344-Cyclopentylamino-5-(4-phenyl-but-1-ynyl)-pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-cce9a175e02e4ccc9a058c0e343414e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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