Toluene → HCID 178471964, compound

HRID 2337084Notes

Reaction equation

HRID 2337084 reaction equation
[CH3:19][C:20]([O:21][C:22]([CH3:23])=[O:24])=[O:25].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[NH2:26][C:27]1([CH2:31][OH:32])[CH2:28][CH2:29][CH2:30]1.[O:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])[c:9]1[c:10]([F:18])[c:11]([F:17])[c:12]([F:16])[c:13]([F:15])[cH:14]1>>[O:1]=[C:2]([C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[CH:19][NH:26][C:27]1([CH2:31][OH:32])[CH2:28][CH2:29][CH2:30]1)[c:9]1[c:10]([F:18])[c:11]([F:17])[c:12]([F:16])[c:13]([F:15])[cH:14]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 600916Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoateHCID 21624254(1-Aminocyclobutyl)methanol

Product 1

HCID 178471964HCID 178471964, compound

Sources & evidence

ORD record
ord-b3979ef424a646ed9639663ed6bbf62e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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