5-Bromo-4-methylthiophene-2-carbonitrile → 4-Methyl-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile

HRID 293739Notes

Reaction equation

HRID 293739 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[s:14][cH:15][cH:16][cH:17]1)([CH3:18])[O:8][CH2:9][C:10](=[O:12])[NH:11]2.[Br:20][c:21]1[c:22]([CH3:28])[cH:23][c:24]([C:26]#[N:27])[s:25]1>>[c:2]1(-[c:21]2[c:22]([CH3:28])[cH:23][c:24]([C:26]#[N:27])[s:25]2)[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[s:14][cH:15][cH:16][cH:17]1)([CH3:18])[O:8][CH2:9][C:10](=[O:12])[NH:11]2

Participants

3

Reactant 2

HCID 219862345-Bromo-4-methylthiophene-2-carbonitrileHCID 688661097-Bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one

Product 1

HCID 114289474-Methyl-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile

Sources & evidence

ORD record
ord-2749b8fec2604fc0b0f0696836ab8c81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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