Acetate → HCID 58726831, compound

HRID 2313018Notes

Reaction equation

HRID 2313018 reaction equation
[Br-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]2[c:12]([c:13]([NH:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([c:22]3[cH:23][cH:24][c:25]([I:28])[cH:26][cH:27]3)=[O:29])[n:14][s:15]2)[cH:30][cH:31]1.[CH2:68]([Cl:69])[Cl:70].[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[CH3:50][CH2:51][CH2:52][CH2:53][N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[OH2:67].[Pd+2:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]2[c:12]([c:13]([NH:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([c:22]3[cH:23][cH:24][c:25](-[c:37]4[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:39][cH:38]4)[cH:26][cH:27]3)=[O:29])[n:14][s:15]2)[cH:30][cH:31]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 259Bromide ionHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 201262(4-Methoxyphenyl)boronic acidHCID 57436518HCID 57436518, compound

Product 1

HCID 58726831HCID 58726831, compound

Sources & evidence

ORD record
ord-b6e3a1513ed94c6fb8f2b9d9b46ee293
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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