Acetate → 2-Sec-butylamino-6-chloro-isonicotinic acid methyl ester

HRID 285303

Reaction equation

HRID 285303 reaction equation
[C:59](=[O:60])([O-:61])[O-:62].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:11])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][CH2:78][O:79][CH2:80][CH3:81].[CH:65]([CH3:66])([CH2:67][CH3:68])[NH2:69].[Cs+:63].[Cs+:64].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[Pd+2:82].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][cH:27][cH:28][cH:29]3)[c:30]2-[c:31]2[c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[cH:38][cH:39][c:40]2[P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:11])[n:7][c:8]([NH:69][CH:65]([CH3:66])[CH2:67][CH3:68])[cH:9]1)=[O:12]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 3283Diethyl EtherHCID 19660Carbonate IonHCID 24874Sec-ButylamineHCID 93237Methyl 2,6-dichloroisonicotinateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-

Product 1

HCID 866150062-Sec-butylamino-6-chloro-isonicotinic acid methyl ester

Sources & evidence

ORD record
ord-29b628274e4a412abea203d652241534
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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