Acetate → 5-Phenylamino-pyridine-2-carbonitrile

HRID 306478Notes

Reaction equation

HRID 306478 reaction equation
[C:63](=[O:64])([O-:65])[O-:66].[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cl:54][c:55]1[cH:56][n:57][c:58]([C:61]#[N:62])[cH:59][cH:60]1.[Cs+:67].[Cs+:68].[NH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Pd+2:80].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[NH:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[c:55]1[cH:56][n:57][c:58]([C:61]#[N:62])[cH:59][cH:60]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 6115AnilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 38339425-Chloro-2-cyanopyridine

Product 1

HCID 665917245-Phenylamino-pyridine-2-carbonitrile

Sources & evidence

ORD record
ord-f15d486134254d1984fefbc05407f77f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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