4-(Cyanomethyl)benzeneboronic acid → HCID 75182770, compound

HRID 2334647Notes

Reaction equation

HRID 2334647 reaction equation
[C:27](#[N:28])[CH2:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21](-[c:33]3[cH:32][cH:31][c:30]([CH2:29][C:27]#[N:28])[cH:35][cH:34]3)[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 27733424-(Cyanomethyl)benzeneboronic acidHCID 67350786[5-(4-Bromophenyl)-3-methylisoxazol-4-yl]carbamic acid 1-(2-chlorophenyl)ethyl ester

Product 1

HCID 75182770HCID 75182770, compound

Sources & evidence

ORD record
ord-9d7769063dc84baba92ac72546d98d10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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