3-Cyanophenol → HCID 22613902, compound

HRID 135086Notes

Reaction equation

HRID 135086 reaction equation
[Br:12][c:13]1[cH:14][c:15]([C:20]([O:21][CH3:22])=[O:23])[cH:16][c:17]([CH3:18])[cH:19]1.[C:1]([c:2]1[cH:3][c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10]1)#[N:11].[C:24](#[N:25])[c:26]1[cH:27][c:28](-[c:32]2[cH:33][c:34]([C:39](=[O:40])[O:41][CH3:42])[cH:35][c:36]([CH3:38])[cH:37]2)[cH:29][cH:30][cH:31]1.[O:43]=[C:44]1[N:45]([Br:46])[C:47](=[O:48])[CH2:49][CH2:50]1.[OH:51][c:52]1[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]1>>[C:24](#[N:25])[c:26]1[cH:27][c:28](-[c:32]2[cH:33][c:34]([C:39](=[O:40])[O:41][CH3:42])[cH:35][c:36]([CH2:38][O:51][c:52]3[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]3)[cH:37]2)[cH:29][cH:30][cH:31]1

Participants

6

Reactant 5

HCID 133943-CyanophenolHCID 67184N-bromobutanimideHCID 27343253-Cyanophenylboronic acidHCID 22613903Methyl 3-bromo-5-methylbenzoateHCID 22613911HCID 22613911, compound

Product 1

HCID 22613902HCID 22613902, compound

Sources & evidence

ORD record
ord-b96c1bfd3b68441298de82053677d37c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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