Acetonitrile → HCID 19373589, compound

HRID 687366Notes

Reaction equation

HRID 687366 reaction equation
[CH3:40][C:41]#[N:42].[N+:17]([c:18]1[cH:19][cH:20][c:21]([O:26][C:27](=[O:22])[NH:29][c:30]2[cH:31][c:32]([CH2:36][C:37](=[O:38])[OH:39])[cH:33][cH:34][cH:35]2)[cH:23][cH:24]1)([O-:25])=[O:28].[NH2:1][CH:2]1[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2>>[NH:1]([CH:2]1[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2)[C:27](=[O:26])[NH:29][c:30]1[cH:31][c:32]([CH2:36][C:37](=[O:38])[OH:39])[cH:33][cH:34][cH:35]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 33905134-Amino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrileHCID 19373573HCID 19373573, compound

Product 1

HCID 19373589HCID 19373589, compound

Sources & evidence

ORD record
ord-8c43708a65fd4d348f4127fe320653e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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