Ammonia → HCID 21942305, compound

HRID 675876Notes

Reaction equation

HRID 675876 reaction equation
[C:28](#[CH:29])[C:30]1([OH:38])[CH2:31][N:32]2[CH2:33][CH2:34][CH:35]1[CH2:36][CH2:37]2.[CH3:126][N:127]([CH3:128])[CH:129]=[O:130].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cu:124][I:125].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:9][c:10]([N:13]2[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]2)[cH:11][cH:12]1)(=[O:26])=[O:27].[NH3:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:7]1([C:29]#[C:28][C:30]2([OH:38])[CH2:31][N:32]3[CH2:33][CH2:34][CH:35]2[CH2:36][CH2:37]3)[c:8]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:9][c:10]([N:13]2[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 222AmmoniaHCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 36135173-Ethynyl-1-azabicyclo[2.2.2]octan-3-olHCID 21942297HCID 21942297, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 21942305HCID 21942305, compound

Sources & evidence

ORD record
ord-17ad9973f50149a28b61bcadfa61f29e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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