Acetate → HCID 178485239, compound

HRID 309419Notes

Reaction equation

HRID 309419 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([CH2:16][CH2:17][CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[c:24]2[c:25]([I:44])[cH:26][c:27]3[c:28]([n:29]2)[o:30][c:31](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[c:32]3[C:33](=[O:34])[NH:35][CH3:36])[CH3:45])=[O:46])[C:10](=[O:13])[O:11][CH2:12]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:53]1([B:56]([OH:57])[OH:58])[CH2:54][CH2:55]1.[Na+:51].[Na+:52].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[Pd+2:66]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([CH2:16][CH2:17][CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[c:24]2[c:25]([CH:53]3[CH2:54][CH2:55]3)[cH:26][c:27]3[c:28]([n:29]2)[o:30][c:31](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[c:32]3[C:33](=[O:34])[NH:35][CH3:36])[CH3:45])=[O:46])[C:10](=[O:13])[O:11][CH2:12]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 178485240HCID 178485240, compound

Product 1

HCID 178485239HCID 178485239, compound

Sources & evidence

ORD record
ord-5c63422bf2914550b083134560a58113
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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