Toluene → HCID 66791179, compound

HRID 1547540Notes

Reaction equation

HRID 1547540 reaction equation
[CH2:23]([Sn:24]([CH2:25][CH2:26][CH2:27][CH3:33])([C:28](=[CH2:29])[O:30][CH2:31][CH3:32])[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([c:20]([Br:22])[cH:21]1)[N:6]([c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1)[C:7](=[O:12])[C:8]([CH3:10])([CH3:11])[O:9]2.[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>>[NH2:1][c:2]1[cH:3][c:4]2[c:5]([c:20]([C:28](=[CH2:29])[O:30][CH2:31][CH3:32])[cH:21]1)[N:6]([c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1)[C:7](=[O:12])[C:8]([CH3:10])([CH3:11])[O:9]2

Participants

6

Reactant 5

HCID 1140TolueneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 619414Stannane, tributyl(1-ethoxyethenyl)-HCID 66789962HCID 66789962, compound

Product 1

HCID 66791179HCID 66791179, compound

Sources & evidence

ORD record
ord-b581453a9bd7492592ca22e5c14886ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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