Acetate → HCID 178521880, compound

HRID 2162359Notes

Reaction equation

HRID 2162359 reaction equation
[Br:1][C:2]1=[CH:3][CH2:4][CH:5]([NH:10][C:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:6](=[O:9])[NH:7][CH2:8]1.[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[Na+:31].[Na+:32].[Na+:68].[Na+:69].[Na+:70].[O-:33][C:34](=[O:35])[O-:36].[OH2:76].[OH:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[Pd+2:81].[S:37]([c:38]1[cH:39][c:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][c:46]([S:47]([O-:48])(=[O:49])=[O:50])[cH:51]2)[c:52]2[cH:53][c:54]([S:55]([O-:56])(=[O:57])=[O:58])[cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64]1)([O-:65])(=[O:66])=[O:67]>>[C:2]1([c:25]2[cH:24][cH:23][c:22]([OH:21])[cH:27][cH:26]2)=[CH:3][CH2:4][CH:5]([NH:10][C:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:6](=[O:9])[NH:7][CH2:8]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion5×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343604-Hydroxyphenylboronic acidHCID 3675707Tris(3-sulfonatophenyl) phosphineHCID 23395536benzyl N-(3-bromo-7-oxo-1,2,5,6-tetrahydroazepin-6-yl)carbamate

Product 1

HCID 178521880HCID 178521880, compound

Sources & evidence

ORD record
ord-e3f264374d7d43feb641aea9f4897e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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