Dimethylformamide → 1-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(1,2,4-oxadiazol-5-yl)phenyl]urea

HRID 140014

Reaction equation

HRID 140014 reaction equation
[CH3:32][C:33]#[N:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[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.[o:17]1[n:18][cH:19][n:20][c:21]1-[c:22]1[cH:23][c:24]([NH:28][C:29]([OH:30])=[O:31])[cH:25][cH:26][cH:27]1>>[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:29]([NH:28][c:24]1[cH:23][c:22](-[c:21]2[o:17][n:18][cH:19][n:20]2)[cH:27][cH:26][cH:25]1)=[O:30]

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 33905134-Amino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrileHCID 54181962[3-(1,2,4-Oxadiazol-5-yl)phenyl]carbamic acid

Product 1

HCID 189508011-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(1,2,4-oxadiazol-5-yl)phenyl]urea

Sources & evidence

ORD record
ord-d6f8c07f10d5466d8b906fddd2217746
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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