Propylamine → 4-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-propyl-11-oxa-5-thiatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxamide

HRID 308747Notes

Reaction equation

HRID 308747 reaction equation
[CH3:29][CH2:30][CH2:31][NH2:32].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:19])[OH:20])[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:20])[NH:32][CH2:31][CH2:30][CH3:29])[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1

Participants

7

Reactant 6

HCID 7852PropylamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668461874-[[2-Fluoro-6-(trifluoromethyl)benzoyl]amino]-11-oxa-5-thiatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxylic acid

Product 1

HCID 250023914-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-propyl-11-oxa-5-thiatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxamide

Sources & evidence

ORD record
ord-88ed4a62404e4c8fa0dc90062b914fea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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