Water → 4-(4-Ethoxycyclohex-1-enyl)-2-methyl-7-nitro-2,3-dihydro-isoindol-1-one

HRID 142921Notes

Reaction equation

HRID 142921 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:7]([CH3:8])[O:9][CH:10]1[CH2:11][CH:12]=[C:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[CH2:14][CH2:15]1.[CH3:24][N:25]1[C:26](=[O:46])[c:27]2[c:28]([N+:43](=[O:44])[O-:45])[cH:29][cH:30][c:31]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[c:32]2[CH2:33]1.[Cs+:51].[Cs+:52].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH2:53]>>[CH2:7]([CH3:8])[O:9][CH:10]1[CH2:11][CH:12]=[C:13]([c:31]2[cH:30][cH:29][c:28]([N+:43](=[O:44])[O-:45])[c:27]3[c:32]2[CH2:33][N:25]([CH3:24])[C:26]3=[O:46])[CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 672539682-Methyl-7-nitro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-isoindol-1-oneHCID 86654031Trifluoro-methanesulfonic acid 4-ethoxy-cyclohex-1-enyl ester

Product 1

HCID 672529874-(4-Ethoxycyclohex-1-enyl)-2-methyl-7-nitro-2,3-dihydro-isoindol-1-one

Sources & evidence

ORD record
ord-1e88cb417dd644ca86cf09d0bc9717db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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