Acetate → HCID 58869545, compound

HRID 163339Notes

Reaction equation

HRID 163339 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[Cs+:30].[Cs+:31].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][n:14][cH:15]3)[cH:16]2)[cH:6][cH:7]1.[I:17][c:18]1[n:19][c:20]([S:24][CH3:25])[n:21][cH:22][cH:23]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:51].[Pd+2:56].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][n:14][cH:15]3)[c:16]2-[c:18]2[n:19][c:20]([S:24][CH3:25])[n:21][cH:22][cH:23]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 32311372-(4-Fluorophenyl)imidazo[1,2-a]pyrazineHCID 38589014-Iodo-2-(methylthio)pyrimidine

Product 1

HCID 58869545HCID 58869545, compound

Sources & evidence

ORD record
ord-9826b2e0c7a44230826c359d682ab3e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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