Ethyl Acetate → HCID 86630999, compound

HRID 683511Notes

Reaction equation

HRID 683511 reaction equation
[CH2:28]1[O:29][CH2:30][CH2:31][O:32][CH2:33]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cu:25][C:26]#[N:27].[F:1][c:2]1[c:3](-[c:8]2[c:9]([I:24])[c:10]([CH:22]=[O:23])[cH:11][n:12]2[S:13](=[O:14])(=[O:15])[c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1.[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[F:1][c:2]1[c:3](-[c:8]2[c:9]([C:26]#[N:27])[c:10]([CH:22]=[O:23])[cH:11][n:12]2[S:13](=[O:14])(=[O:15])[c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 86631000HCID 86631000, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 86630999HCID 86630999, compound

Sources & evidence

ORD record
ord-c75f602428eb481eacfb2192a070e3fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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