Acetate → HCID 68835322, compound

HRID 2137399Notes

Reaction equation

HRID 2137399 reaction equation
[C:30]([O-:31])(=[O:32])[CH3:33].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][OH:44].[NH2:1][c:2]1[n:3][n:4]2[c:5]([cH:6][c:7]([Br:19])[cH:8][c:9]2-[c:10]2[n:11][n:12][c:13]([CH2:15][C:16]([CH3:17])=[O:18])[o:14]2)[n:20]1.[Na+:34].[OH2:45].[n:21]1[cH:22][c:23]([B:27]([OH:28])[OH:29])[cH:24][cH:25][cH:26]1>>[NH2:1][c:2]1[n:3][n:4]2[c:5]([cH:6][c:7](-[c:23]3[cH:22][n:21][cH:26][cH:25][cH:24]3)[cH:8][c:9]2-[c:10]2[n:11][n:12][c:13]([CH2:15][C:16]([CH3:17])=[O:18])[o:14]2)[n:20]1

Participants

8

Reactant 7

HCID 175AcetateHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 27343783-Pyridinylboronic acidHCID 68835927HCID 68835927, compound

Product 1

HCID 68835322HCID 68835322, compound

Sources & evidence

ORD record
ord-aa057495131041bfb1c3aac8ba2793ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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