Acetonitrile → HCID 178458538, compound

HRID 2153572Notes

Reaction equation

HRID 2153572 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[c:6]([CH2:7][NH2:8])[cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1.[CH3:40][C:41]#[N:42].[Cl+3:34]([O-:35])([O-:36])([O-:37])[O-:38].[Li+:39].[O:15]1[CH2:16][CH:17]1[CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33]>>[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[c:6]([CH2:7][NH:8][CH2:16][CH:17]([OH:15])[CH:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28486Lithium ionHCID 123351PerchlorateHCID 4571240tert-Butyl (1-(oxiran-2-yl)-2-phenylethyl)carbamateHCID 608800312-Allyloxy-5-methoxybenzylamine

Product 1

HCID 178458538HCID 178458538, compound

Sources & evidence

ORD record
ord-220b31944ba04642a6323d6321146065
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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