Acetonitrile → HCID 178471375, compound

HRID 2340367Notes

Reaction equation

HRID 2340367 reaction equation
[Br:22][CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[C:36](=[O:45])[c:37]2[c:38]([cH:41][cH:42][cH:43][cH:44]2)[C:39]1=[O:40].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][C:54]#[N:55].[NH2:1][CH:2]1[CH2:3][O:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9]>>[NH:1]([CH:2]1[CH2:3][O:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9])[CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[C:36](=[O:45])[c:37]2[c:38]([cH:41][cH:42][cH:43][cH:44]2)[C:39]1=[O:40]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 13622529Tert-butyl 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetateHCID 13622533Ethyl 2-bromo-8-phthalimidooctanoate

Product 1

HCID 178471375HCID 178471375, compound

Sources & evidence

ORD record
ord-29ec7989c93c430394110ae0f24dc127
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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