Toluene → HCID 68525553, compound

HRID 1566468Notes

Reaction equation

HRID 1566468 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([S:20][CH3:21])[c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]1.[CH2:22]1[CH2:23][O:24][CH2:25][CH2:26][NH:27]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([S:20][CH3:21])[c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([N:27]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8083MorpholineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 68524438HCID 68524438, compound

Product 1

HCID 68525553HCID 68525553, compound

Sources & evidence

ORD record
ord-349c30d655aa46f782b29afafffabed3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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