Acetate → 2-Cyclopropylamino-6-(methanesulfonyl-methylamino)-isonicotinic acid methylester

HRID 204305Notes

Reaction equation

HRID 204305 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:68])[n:59][c:60]([N:62]([CH3:63])[S:64](=[O:65])(=[O:66])[CH3:67])[cH:61]1)=[O:69].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:70]1([NH2:73])[CH2:71][CH2:72]1.[Cs+:51].[Cs+:52].[Pd+2:78].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:53][O:54][C:55]([c:56]1[cH:57][c:58]([NH:73][CH:70]2[CH2:71][CH2:72]2)[n:59][c:60]([N:62]([CH3:63])[S:64](=[O:65])(=[O:66])[CH3:67])[cH:61]1)=[O:69]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 69828CyclopropylamineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 86612064Methyl 2-chloro-6-[methyl(methylsulfonyl)amino]isonicotinate

Product 1

HCID 688183812-Cyclopropylamino-6-(methanesulfonyl-methylamino)-isonicotinic acid methylester

Sources & evidence

ORD record
ord-ab2545fc2d574f2ab6983458e3ecb282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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