Acetate → Tert-butyl 2-[2-chloro-5-(3-oxoprop-1-enyl)phenoxy]acetate

HRID 91399

Reaction equation

HRID 91399 reaction equation
[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH2:41]([N+:42]([CH2:43][CH3:44])([CH2:45][CH3:46])[CH2:47][CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH:18](=[O:19])[CH:20]=[CH2:21].[Cl-:40].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][c:14]([I:17])[cH:15][cH:16]1.[Na+:22].[Na+:23].[Na+:33].[Na+:34].[O-:24][C:25](=[O:26])[O-:27].[Pd+2:59].[S:28]([O-:29])([O-:30])(=[O:31])=[S:32]>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][c:14]([CH:21]=[CH:20][CH:18]=[O:19])[cH:15][cH:16]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 312ChlorideHCID 923Sodium ion4×HCID 1084Thiosulfate ionHCID 6228DimethylformamideHCID 7847AcroleinHCID 17208BenzyltriethylammoniumHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86594023t-Butyl (2-chloro-5-iodophenoxy)acetate

Product 1

HCID 91005965Tert-butyl 2-[2-chloro-5-(3-oxoprop-1-enyl)phenoxy]acetate

Sources & evidence

ORD record
ord-d78414cba0c247fc8b5ffbddbfc3f90c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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