Toluene → HCID 57879334, compound

HRID 293991Notes

Reaction equation

HRID 293991 reaction equation
[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)(=[O:23])[NH:24][c:25]1[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][c:33]([I:35])[cH:34]1.[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[SH:15].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Pd:36].[Pd:37]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[S:15][c:33]1[cH:32][cH:31][c:26]([C:27](=[O:28])[O:29][CH3:30])[c:25]([NH:24][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[cH:34]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 7509Benzyl mercaptanHCID 8471TriethylamineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 57879406HCID 57879406, compound

Product 1

HCID 57879334HCID 57879334, compound

Sources & evidence

ORD record
ord-a2720da82eac4c48b68cf4525489175e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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