Water → ethyl 1-(1,4-dioxepan-6-yl)-5-[4-(2-methoxy-3,5-dimethylpyridin-4-yl)-2-nitrophenyl]-1H-pyrazole-4-carboxylate

HRID 2317042Notes

Reaction equation

HRID 2317042 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:25](=[O:26])[O-:27])[c:5](-[c:8]2[c:9]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:10][n:11][n:12]2[CH:13]2[CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19]2)[cH:6][cH:7]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:28][O:29][c:30]1[n:31][cH:32][c:33]([CH3:40])[c:34]([B:37]([OH:38])[OH:39])[c:35]1[CH3:36].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[OH2:47]>>[c:2]1(-[c:34]2[c:33]([CH3:40])[cH:32][n:31][c:30]([O:29][CH3:28])[c:35]2[CH3:36])[cH:3][c:4]([N+:25](=[O:26])[O-:27])[c:5](-[c:8]2[c:9]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:10][n:11][n:12]2[CH:13]2[CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 86686313ethyl 5-(4-bromo-2-nitrophenyl)-1-(1,4-dioxepan-6-yl)-1H-pyrazole-4-carboxylateHCID 86686333HCID 86686333, compound

Product 1

HCID 86686380ethyl 1-(1,4-dioxepan-6-yl)-5-[4-(2-methoxy-3,5-dimethylpyridin-4-yl)-2-nitrophenyl]-1H-pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-b5d8a5e594f948f2850678d3f64e9803
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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