Bicarbonate Ion → 2-Cyclopropyl-5-methyl-7-(3-oxocyclopentyl)-6-phenyl-1,3-benzoxazole-4-carbonitrile

HRID 2158649

Reaction equation

HRID 2158649 reaction equation
[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:26]#[N:27])[c:10]([CH3:25])[c:11](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:12]3[CH:13]2[CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]2)[CH2:2][CH2:3]1.[Cl:40][CH2:41][Cl:42].[Na+:33].[Na+:34].[Na+:35].[OH:36][C:37](=[O:38])[O-:39].[S:28]([O-:29])([O-:30])(=[O:31])=[S:32]>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:26]#[N:27])[c:10]([CH3:25])[c:11](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:12]3[CH:13]2[CH2:14][C:15](=[O:18])[CH2:16][CH2:17]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 691945792-Cyclopropyl-7-(3-hydroxycyclopentyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

Product 1

HCID 685859442-Cyclopropyl-5-methyl-7-(3-oxocyclopentyl)-6-phenyl-1,3-benzoxazole-4-carbonitrile

Sources & evidence

ORD record
ord-11369afea387460281ddd655ffd705aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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