Water → 4-(2-Cyanoethyl)-5-methyl-2-phenyloxazole

Reaction equation

[CH3:18][N:19]([CH3:20])[CH:21]=[O:22].[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][C:15](=[O:16])[NH2:17])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[OH2:28].[P:23]([Cl:24])([Cl:25])([Cl:26])=[O:27]>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][C:15]#[N:17])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

Reactant 4

HCID 962Water

HCID 6228Dimethylformamide

HCID 24813Phosphorus oxychloride

HCID 178613843-(5-Methyl-2-phenyl-4-oxazolyl)propanamide

Product 1

HCID 120932634-(2-Cyanoethyl)-5-methyl-2-phenyloxazole

Sources & evidence

ORD record: ord-ac96cdf0c5984a818f5d2c3f6094e5b5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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