Acetate → N-(8-methyl-4H-5-oxa-1-thia-3,7-diaza-cyclopenta[a]naphthalen-2-yl)-acetamide

HRID 214578Notes

Reaction equation

HRID 214578 reaction equation
[B-:26]([F:27])([F:28])([F:29])[F:30].[Br:1][c:2]1[c:3]([O:9][CH2:10][c:11]2[n:12][c:13]([NH:16][C:17]([CH3:18])=[O:19])[s:14][cH:15]2)[cH:4][n:5][c:6]([CH3:8])[cH:7]1.[C:20](=[O:21])([O-:22])[O-:23].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH2:31]([P:32]([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH3:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cs+:24].[Cs+:25].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[Pd+2:59]>>[c:2]12[c:3]([cH:4][n:5][c:6]([CH3:8])[cH:7]1)[O:9][CH2:10][c:11]1[n:12][c:13]([NH:16][C:17]([CH3:18])=[O:19])[s:14][c:15]1-2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 13831TributylphosphineHCID 19660Carbonate IonHCID 26255TetrafluoroborateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86649535N-[4-(4-bromo-6-methyl-pyridin-3-yloxymethyl)-thiazol-2-yl]-acetamide

Product 1

HCID 86649534N-(8-methyl-4H-5-oxa-1-thia-3,7-diaza-cyclopenta[a]naphthalen-2-yl)-acetamide

Sources & evidence

ORD record
ord-36a2b7fe1b6c4a738612f354af984925
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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