Acetate → HCID 178428384, compound

HRID 1147825Notes

Reaction equation

HRID 1147825 reaction equation
[Br:1][c:2]1[s:3][c:4]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:5]([C:7]([NH:8][c:9]2[cH:10][n:11][n:12]([CH3:30])[c:13]2[N:14]2[CH2:15][CH2:16][CH:17]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH:18]([F:21])[CH2:19][CH2:20]2)=[O:31])[n:6]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:40][c:41]1[c:42]([B:47]([OH:48])[OH:49])[cH:43][n:44][cH:45][cH:46]1.[CH3:61][C:62]#[N:63].[K+:54].[Na+:59].[Na+:60].[O-:50][C:51]([CH3:52])=[O:53]>>[c:2]1(-[c:42]2[c:41]([CH3:40])[cH:46][cH:45][n:44][cH:43]2)[s:3][c:4]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:5]([C:7]([NH:8][c:9]2[cH:10][n:11][n:12]([CH3:30])[c:13]2[N:14]2[CH2:15][CH2:16][CH:17]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH:18]([F:21])[CH2:19][CH2:20]2)=[O:31])[n:6]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 27627114-Methylpyridine-3-Boronic AcidHCID 89456482HCID 89456482, compound

Product 1

HCID 178428384HCID 178428384, compound

Sources & evidence

ORD record
ord-bdcf5336c49d49c980dd141b45b42d07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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