Acetate → HCID 18188054, compound

HRID 1557457Notes

Reaction equation

HRID 1557457 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:24][CH2:25][CH:26]([CH2:27][CH3:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[S:11]([NH:12][CH2:13][c:14]1[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]1)(=[O:22])=[O:23].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH3:86][OH:87].[Na+:64].[Na+:65].[O-:66][C:67](=[O:68])[O-:69].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[Pd+2:70].[c:35]1([CH3:44])[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH3:44])[cH:40][cH:39]2)[cH:3][c:4]([NH:24][CH2:25][CH:26]([CH2:27][CH3:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[S:11]([NH:12][CH2:13][c:14]1[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]1)(=[O:22])=[O:23]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 887MethanolHCID 923Sodium ion2×HCID 1140TolueneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 79799Tolylboronic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18188037HCID 18188037, compound

Product 1

HCID 18188054HCID 18188054, compound

Sources & evidence

ORD record
ord-2cb53f8efe8d4335808229c3ad37bf62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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