Acetonitrile → HCID 58588457, compound

HRID 2136924Notes

Reaction equation

HRID 2136924 reaction equation
[CH3:33][N:34]([CH2:35][C:36]#[CH:37])[CH3:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][C:47]#[N:48].[Cl:49][CH2:50][Cl:51].[Cu:93][I:94].[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([CH3:29])[c:11]([O:14][c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3-[c:21]3[n:22][c:23]([NH:27][CH3:28])[n:24][cH:25][cH:26]3)[cH:12][cH:13]2)[cH:30][cH:31][cH:32]1.[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[c:2]1([C:37]#[C:36][CH2:35][N:34]([CH3:33])[CH3:38])[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([CH3:29])[c:11]([O:14][c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3-[c:21]3[n:22][c:23]([NH:27][CH3:28])[n:24][cH:25][cH:26]3)[cH:12][cH:13]2)[cH:30][cH:31][cH:32]1

Participants

9

Reactant 8

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81643N,N-DimethylpropargylamineHCID 66970357HCID 66970357, compound

Product 1

HCID 58588457HCID 58588457, compound

Sources & evidence

ORD record
ord-5b01cc5be9174d088965d7a0191097d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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