Acetonitrile → HCID 68681909, compound

HRID 111080Notes

Reaction equation

HRID 111080 reaction equation
[CH3:34][C:35]#[N:36].[Cu:37][I:38].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[CH:8][CH2:9][C:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]31)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)(=[O:29])=[O:30].[Na:31][C:32]#[N:33].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[C:7]1([C:32]#[N:33])=[CH:8][CH2:9][C:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]31)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 59600639HCID 59600639, compoundHCID 178420554HCID 178420554, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 68681909HCID 68681909, compound

Sources & evidence

ORD record
ord-ad70b395cee34f35b23bf9c1cdd459c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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