(3-Cyano-5-fluorophenyl)boronic acid → 3-(5-Ethyl-2-oxo-5-thien-3-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile

HRID 163760Notes

Reaction equation

HRID 163760 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([c:13]1[cH:14][s:15][cH:16][cH:17]1)([CH2:18][CH3:19])[O:8][CH2:9][C:10](=[O:12])[NH:11]2.[C:21](#[N:22])[c:23]1[cH:24][c:25]([B:30]([OH:31])[OH:32])[cH:26][c:27]([F:29])[cH:28]1>>[c:2]1(-[c:25]2[cH:24][c:23]([C:21]#[N:22])[cH:28][c:27]([F:29])[cH:26]2)[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([c:13]1[cH:14][s:15][cH:16][cH:17]1)([CH2:18][CH3:19])[O:8][CH2:9][C:10](=[O:12])[NH:11]2

Participants

3

Reactant 2

HCID 23435605(3-Cyano-5-fluorophenyl)boronic acidHCID 688658237-bromo-5-ethyl-5-thien-3-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one

Product 1

HCID 112463303-(5-Ethyl-2-oxo-5-thien-3-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile

Sources & evidence

ORD record
ord-8c50b26179804173aa40b7c5d45ba97c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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