Acetonitrile → Ethyl [9-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]acetate

HRID 196940Notes

Reaction equation

HRID 196940 reaction equation
[Br:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][c:22]4[c:28]3[O:27][CH2:26][CH2:25][NH:24][CH2:23]4)[n:16][o:17]2)[cH:11][cH:12]1.[CH3:45][C:46]#[N:47].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][c:22]4[c:28]3[O:27][CH2:26][CH2:25][N:24]([CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:23]4)[n:16][o:17]2)[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7748Ethyl bromoacetateHCID 81531DiisopropylethylamineHCID 44129064HCID 44129064, compound

Product 1

HCID 59403531Ethyl [9-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]acetate

Sources & evidence

ORD record
ord-b4202fc1496346968dd5da795ce2fd0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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