Water → 1,1-Dimethylethyl [8-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]acetate

HRID 174479Notes

Reaction equation

HRID 174479 reaction equation
[Br:28][CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36].[CH3:46][C:47]#[N:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:26][cH:27]3)[CH2:21][NH:22][CH2:23][CH2:24][O:25]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:26][cH:27]3)[CH2:21][N:22]([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:23][CH2:24][O:25]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 79177tert-Butyl bromoacetateHCID 81531DiisopropylethylamineHCID 44128821HCID 44128821, compound

Product 1

HCID 594035271,1-Dimethylethyl [8-(5-{3-chloro-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-4a34fac81e5c44a9ace563d606fa9807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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