Acetate → 2-(4-cyanophenyl)-N-isobutoxycarbonyl-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulphonamide

HRID 2329401Notes

Reaction equation

HRID 2329401 reaction equation
[C:28](#[N:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[N:11]([c:12]1[n:13][cH:14][c:15]([CH3:20])[n:16][c:17]1[O:18][CH3:19])[C:21](=[O:22])[O:23][CH2:24][CH:25]([CH3:26])[CH3:27].[F-:39].[K+:40].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[OH2:41].[Pd+2:49]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([C:28]#[N:29])[cH:35][cH:34]2)[n:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[N:11]([c:12]1[n:13][cH:14][c:15]([CH3:20])[n:16][c:17]1[O:18][CH3:19])[C:21](=[O:22])[O:23][CH2:24][CH:25]([CH3:26])[CH3:27]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343264-Cyanophenylboronic acidHCID 11015197Isobutyl (2-chloropyridin-3-yl)sulfonyl(3-methoxy-5-methylpyrazin-2-yl)carbamate

Product 1

HCID 211862212-(4-cyanophenyl)-N-isobutoxycarbonyl-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulphonamide

Sources & evidence

ORD record
ord-674c8f7479a842eaacc96d31f4b28401
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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