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Tetrahydrofuran → (3-Trifluoromethylphenyl)thiocarbamic acid O-(6-hydroxymethyl-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylmethyl)ester

HRID 307629
Notes
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Reaction equation

HRID 307629 reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[F:24][C:25]([c:26]1[cH:27][c:28]([N:32]=[C:33]=[S:34])[cH:29][cH:30][cH:31]1)([F:35])[F:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]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:28]1[cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:31][cH:30][cH:29]1)=[S:34]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 1372321-Isothiocyanato-3-(trifluoromethyl)benzeneHCID 670730866,6-Bis(hydroxymethyl)-6,7,8,9-tetrahydrobenzocyclohepten-5-one

Product 1

HCID 11964898(3-Trifluoromethylphenyl)thiocarbamic acid O-(6-hydroxymethyl-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylmethyl)ester

Sources & evidence

ORD record
ord-5b537d9a0ba04caa8a655ce6c2c3bee7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes