Acetate → Methyl-9-chloro-5,6-dihydrobenzo[f][1,2,4]triazolo[1,5-d][1,4]oxazepine-2-carboxylate

HRID 148392Notes

Reaction equation

HRID 148392 reaction equation
[Br:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][n:7]2[n:8][c:9]([C:12](=[O:13])[O:14][CH3:15])[n:10][cH:11]2)[cH:16][c:17]([Cl:20])[cH:18][cH:19]1.[C:24](=[O:25])([O-:26])[O-:27].[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[CH2:31]([N+:32]([CH2:33][CH3:34])([CH2:35][CH3:36])[CH2:37][CH3:38])[CH3:39].[CH3:21][C:22]#[N:23].[Cl-:30].[Cs+:28].[Cs+:29].[Cu:49][I:50].[Pd+2:44]>>[c:2]12[c:3]([cH:16][c:17]([Cl:20])[cH:18][cH:19]1)[O:4][CH2:5][CH2:6][n:7]1[n:8][c:9]([C:12](=[O:13])[O:14][CH3:15])[n:10][c:11]1-2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67050677Methyl 1-[2-(2-bromo-5-chlorophenoxy)ethyl]-1H-1,2,4-triazole-3-carboxylate

Product 1

HCID 58204850Methyl-9-chloro-5,6-dihydrobenzo[f][1,2,4]triazolo[1,5-d][1,4]oxazepine-2-carboxylate

Sources & evidence

ORD record
ord-7ab519b3c49c48c28233706ae2bba3a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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