Tetrahydrofuran → HCID 59644538, compound

HRID 193547Notes

Reaction equation

HRID 193547 reaction equation
[CH2:1]([O:2][N:3]=[O:4])[CH2:5][CH:6]([CH3:7])[CH3:8].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[NH2:9][c:10]1[s:11][c:12]([C:41](=[O:42])[c:43]2[c:44]([Cl:49])[cH:45][cH:46][cH:47][cH:48]2)[c:13](-[c:15]2[n:16][n:17][n:18]([CH2:26][c:27]3[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[c:19]2-[c:20]2[cH:21][n:22][cH:23][cH:24][cH:25]2)[n:14]1>>[cH:10]1[s:11][c:12]([C:41](=[O:42])[c:43]2[c:44]([Cl:49])[cH:45][cH:46][cH:47][cH:48]2)[c:13](-[c:15]2[n:16][n:17][n:18]([CH2:26][c:27]3[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[c:19]2-[c:20]2[cH:21][n:22][cH:23][cH:24][cH:25]2)[n:14]1

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8053Isoamyl NitriteHCID 8857Ethyl AcetateHCID 86601261HCID 86601261, compound

Product 1

HCID 59644538HCID 59644538, compound

Sources & evidence

ORD record
ord-226f6c73e96042678ed0b50594db129d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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