Hexane → HCID 86618287, compound

HRID 2337496Notes

Reaction equation

HRID 2337496 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:12][cH:13]1)[NH:7][CH2:8][CH2:9][CH2:10][CH2:11]2.[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[F:14][C:15]([c:16]1[cH:17][c:18]([N:22]=[C:23]=[O:24])[cH:19][cH:20][cH:21]1)([F:25])[F:26]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:12][cH:13]1)[N:7]([C:23]([NH:22][c:18]1[cH:17][c:16]([C:15]([F:14])([F:25])[F:26])[cH:21][cH:20][cH:19]1)=[O:24])[CH2:8][CH2:9][CH2:10][CH2:11]2

Participants

4

Reactant 3

HCID 8058HexaneHCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 122348407-Methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine hydrochloride

Product 1

HCID 86618287HCID 86618287, compound

Sources & evidence

ORD record
ord-1ab17ae61e4b462eb6c204fa1a7e5df0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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