3-Aminobenzonitrile → HCID 68936943, compound

HRID 2340767Notes

Reaction equation

HRID 2340767 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:9][c:10]12.[C:67](=[O:68])([O-:69])[O-:70].[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2-[c:53]2[c:54]([N:55]([CH3:56])[CH3:57])[cH:58][cH:59][cH:60][cH:61]2)[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cs+:71].[Cs+:72].[NH2:30][c:31]1[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]1.[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80]>>[c:2]1([NH:30][c:31]2[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]2)[cH:3][cH:4][cH:5][c:6]2[c:7]([CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:9][c:10]12

Participants

9

Reactant 8

HCID 167023-AminobenzonitrileHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 68938945ethyl 7-bromo-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylate

Product 1

HCID 68936943HCID 68936943, compound

Sources & evidence

ORD record
ord-67ad1e8b2b9d4648bf28cc546fc38f50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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