Cyanide → HCID 66974649, compound

HRID 2340529Notes

Reaction equation

HRID 2340529 reaction equation
[C-:36]#[N:37].[C-:39]#[N:40].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:21](=[O:22])(=[O:23])[c:24]2[cH:25][n:26][cH:27][cH:28][cH:29]2)[c:13](-[c:15]2[cH:16][s:17][cH:18][c:19]2[Br:20])[cH:14]1)=[O:30].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Zn+2:38].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:21](=[O:22])(=[O:23])[c:24]2[cH:25][n:26][cH:27][cH:28][cH:29]2)[c:13](-[c:15]2[cH:16][s:17][cH:18][c:19]2[C:31]#[N:32])[cH:14]1)=[O:30]

Participants

6

Reactant 5

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 32051Zinc(2+)HCID 66974586tert-butyl{[5-(4-bromo-3-thienyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamateHCID 178420554HCID 178420554, compound

Product 1

HCID 66974649HCID 66974649, compound

Sources & evidence

ORD record
ord-856de1f0e68e4f67a13d2e566f89c05e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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