Tetrahydrofuran → (2,4-Difluorophenyl)thiocarbamic acid O-(6-hydroxymethyl-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylmethyl)ester

HRID 1231150Notes

Reaction equation

HRID 1231150 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)[CH2:7][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)[CH2:7][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 670730866,6-Bis(hydroxymethyl)-6,7,8,9-tetrahydrobenzocyclohepten-5-one

Product 1

HCID 11964900(2,4-Difluorophenyl)thiocarbamic acid O-(6-hydroxymethyl-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylmethyl)ester

Sources & evidence

ORD record
ord-2d96edcbc676443c957eea3cd2109877
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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