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

HRID 167931Notes

Reaction equation

HRID 167931 reaction equation
[Br:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46].[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][cH:22][c:23]4[c:29]3[O:28][CH2:27][CH2:26][NH:25][CH2:24]4)[n:17][o:18]2)[cH:12][cH:13]1.[CH3:47][C:48]#[N:49].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[ClH:1]>>[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][cH:22][c:23]4[c:29]3[O:28][CH2:27][CH2:26][N:25]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:24]4)[n:17][o:18]2)[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 68320Ethyl 3-bromopropionateHCID 81531DiisopropylethylamineHCID 44129064HCID 44129064, compound

Product 1

HCID 59403543Ethyl 3-[9-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate

Sources & evidence

ORD record
ord-e97a9d10c8bb4dbcb17f75535db99ea5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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