Nitrogen → HCID 59441842, compound

HRID 188383Notes

Reaction equation

[Br:3][c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:14][c:15]2[c:16]3[c:17]([n:18][c:19]([NH:21][c:22]4[c:23]([O:37][CH3:38])[cH:24][c:25]([N:28]5[CH2:29][CH2:30][N:31]([CH:34]([CH3:35])[CH3:36])[CH2:32][CH2:33]5)[cH:26][cH:27]4)[n:20]2)[n:39]([S:42](=[O:43])(=[O:44])[c:45]2[cH:46][cH:47][c:48]([CH3:51])[cH:49][cH:50]2)[cH:40][cH:41]3)[cH:11][cH:12][cH:13]1.[C-:134]#[N:135].[C-:137]#[N:138].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[N:1]#[N:2].[Zn+2:136].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:4]1([C:52]#[N:53])[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:14][c:15]2[c:16]3[c:17]([n:18][c:19]([NH:21][c:22]4[c:23]([O:37][CH3:38])[cH:24][c:25]([N:28]5[CH2:29][CH2:30][N:31]([CH:34]([CH3:35])[CH3:36])[CH2:32][CH2:33]5)[cH:26][cH:27]4)[n:20]2)[n:39]([S:42](=[O:43])(=[O:44])[c:45]2[cH:46][cH:47][c:48]([CH3:51])[cH:49][cH:50]2)[cH:40][cH:41]3)[cH:11][cH:12][cH:13]1

Participants

Reactant 6

HCID 947Nitrogen

HCID 5975Cyanide2×

HCID 6228Dimethylformamide

HCID 32051Zinc(2+)

HCID 59442119HCID 59442119, compound

HCID 178420554HCID 178420554, compound

Product 1

HCID 59441842HCID 59441842, compound

Sources & evidence

ORD record: ord-99fe0b479acc4c0396c0ee62ad744d06
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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