Acetonitrile → HCID 178471367, compound

HRID 1236918Notes

Reaction equation

HRID 1236918 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][CH2:35][N:36]1[C:37](=[O:46])[c:38]2[c:39]([cH:42][cH:43][cH:44][cH:45]2)[C:40]1=[O:41].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[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][CH2:35][N:36]1[C:37](=[O:46])[c:38]2[c:39]([cH:42][cH:43][cH:44][cH:45]2)[C:40]1=[O:41]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 13622529Tert-butyl 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetateHCID 13622534Ethyl 2-bromo-9-phthalimidononanoate

Product 1

HCID 178471367HCID 178471367, compound

Sources & evidence

ORD record
ord-71dbfa02fa09490b8cdf39c366bf8bd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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