Toluene → HCID 44554257, compound

HRID 308049Notes

Reaction equation

HRID 308049 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[n:11]([CH3:21])[c:12]2[S:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[c:2]1([C:36]([CH3:35])=[O:37])[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[n:11]([CH3:21])[c:12]2[S:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 44555246HCID 44555246, compound

Product 1

HCID 44554257HCID 44554257, compound

Sources & evidence

ORD record
ord-793da49c4a2a4630adcc211acc78a4f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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