Bromide ion → 4-(6-Chloro-2-oxo-2H-1-benzopyran-4-yl)-butyronitrile

HRID 676158Notes

Reaction equation

HRID 676158 reaction equation
[Br-:24].[C:25](#[N:26])[CH2:27][CH2:28][CH2:29][Zn+:30].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([O:12][S:13]([c:14]3[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]3)(=[O:21])=[O:22])[cH:8][c:9](=[O:11])[o:10]2)[cH:23]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH2:29][CH2:28][CH2:27][C:25]#[N:26])[cH:8][c:9](=[O:11])[o:10]2)[cH:23]1

Participants

6

Reactant 5

HCID 259Bromide ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 46179801Toluene-4-sulfonic acid 6-chloro-2-oxo-2H-1-benzopyran-4-yl esterHCID 178511033HCID 178511033, compound

Product 1

HCID 118174844-(6-Chloro-2-oxo-2H-1-benzopyran-4-yl)-butyronitrile

Sources & evidence

ORD record
ord-70bb2bce90024289bda3721987ff63f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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