Dimethylformamide → HCID 15982174, compound

HRID 2322080Notes

Reaction equation

HRID 2322080 reaction equation
[CH2:21]([CH2:22][C:23]#[CH:24])[N:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:7][N:6]([CH3:20])[CH2:5]2.[Cu:55][I:56].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[Pd:57]([Cl:58])[Cl:59].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([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][cH:95][cH:96][cH:97]1>>[c:2]1([C:24]#[C:23][CH2:22][CH2:21][N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[n:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:7][N:6]([CH3:20])[CH2:5]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 131559861-(But-3-yn-1-yl)piperidineHCID 58771901HCID 58771901, compound

Product 1

HCID 15982174HCID 15982174, compound

Sources & evidence

ORD record
ord-5c37d982496c440dba5e7c00dbe058bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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