Acetonitrile → HCID 86617440, compound

HRID 319059Notes

Reaction equation

HRID 319059 reaction equation
[Br:31][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38].[CH3:39][C:40]#[N:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:16][c:17]3[cH:18][c:19]([P:23]([O:24][CH2:25][CH3:26])([O:27][CH2:28][CH3:29])=[O:30])[cH:20][cH:21][cH:22]3)[c:7]2[n:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[n:10]1>>[NH2:1][c:2]1[c:3]2[n:4][c:5]([Br:31])[n:6]([CH2:16][c:17]3[cH:18][c:19]([P:23]([O:24][CH2:25][CH3:26])([O:27][CH2:28][CH3:29])=[O:30])[cH:20][cH:21][cH:22]3)[c:7]2[n:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[n:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 57816841HCID 57816841, compound

Product 1

HCID 86617440HCID 86617440, compound

Sources & evidence

ORD record
ord-20631f4177444887834abfd33b3808cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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