Diphenyl Ether → HCID 86636116, compound

HRID 158932Notes

Reaction equation

HRID 158932 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][c:15]([CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][CH2:27][O:28][CH3:29])[n:16]1)[cH:10]2.[N+:30](=[O:31])([O-:32])[c:33]1[cH:34][c:35]([F:40])[c:36]([OH:39])[cH:37][cH:38]1.[O:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[c:2]1([O:39][c:36]2[c:35]([F:40])[cH:34][c:33]([N+:30](=[O:31])[O-:32])[cH:38][cH:37]2)[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][c:15]([CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][CH2:27][O:28][CH3:29])[n:16]1)[cH:10]2

Participants

7

Reactant 6

HCID 7583Diphenyl EtherHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 98252-Fluoro-4-nitrophenolHCID 86636115HCID 86636115, compound

Product 1

HCID 86636116HCID 86636116, compound

Sources & evidence

ORD record
ord-544456d84b4b4462bd57d0d9d5162cc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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