Cyanide → HCID 58993595, compound

HRID 2316117Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([CH2:16][O:17][CH2:18][C:19]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:7]1.[C-:120]#[N:121].[C-:123]#[N:124].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Pd:43].[Zn+2:122].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([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)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([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)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([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)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([C:38]#[N:39])[cH:3][c:4]([CH2:16][O:17][CH2:18][C:19]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:7]1

Participants

Reactant 6

HCID 5975Cyanide2×

HCID 6228Dimethylformamide

HCID 11776Triphenylphosphine4×

HCID 23938Palladium

HCID 32051Zinc(2+)

HCID 58993705HCID 58993705, compound

Product 1

HCID 58993595HCID 58993595, compound

Sources & evidence

ORD record: ord-541b64e433d441a38bd9083d51db084d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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