Tetrahydrofuran → HCID 86633685, compound

HRID 683225Notes

Reaction equation

HRID 683225 reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[F:24][c:25]1[c:26]([N:32]=[C:33]=[S:34])[cH:27][cH:28][c:29]([F:31])[cH:30]1.[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH:1][CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[O:7][CH2:8][CH2:9]1>>[O:1]([CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[O:7][CH2:8][CH2:9]1)[C:33]([NH:32][c:26]1[c:25]([F:24])[cH:30][c:29]([F:31])[cH:28][cH:27]1)=[S:34]

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 5188792,4-Difluoro-1-isothiocyanatobenzeneHCID 670731254,4-Bis(hydroxymethyl)-3,4-dihydro-2H-benzo[b]oxepin-5-one

Product 1

HCID 86633685HCID 86633685, compound

Sources & evidence

ORD record
ord-5e29a99fabb74da08cfc92cc4003db9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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