N-methyl-2-pyrrolidone → 2,6-Pyridinediamine, 3-[2-(trimethylsilyl)ethynyl]-

HRID 2132071Notes

Reaction equation

HRID 2132071 reaction equation
[CH3:10][Si:11]([CH3:12])([CH3:13])[C:14]#[CH:15].[CH3:95][N:96]1[CH2:97][CH2:98][CH2:99][C:100]1=[O:101].[Cu:16][I:17].[I:1][c:2]1[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1.[cH:18]1[cH:19][cH:20][c:21]([P:22]([Pd:23]([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1>>[c:2]1([C:15]#[C:14][Si:11]([CH3:10])([CH3:12])[CH3:13])[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 13387N-methyl-2-pyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 4762183-Iodopyridine-2,6-diamineHCID 178420554HCID 178420554, compound

Product 1

HCID 592554712,6-Pyridinediamine, 3-[2-(trimethylsilyl)ethynyl]-

Sources & evidence

ORD record
ord-36751d5ba70d46e2be0dbd585f42e53f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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