Dimethyl Sulfoxide → (4-Phenyl-butyl)-(2-trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalen-8-ylmethyl)-amine

HRID 1134996Notes

Reaction equation

HRID 1134996 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:20]([c:21]3[O:22]2)[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[nH:25]4)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[c:30]1([CH2:36][CH2:37][CH2:38][CH2:39][NH2:40])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:12]([CH:13]1[CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]3[c:20]([c:21]2[O:22]1)[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[nH:25]3)[NH:40][CH2:39][CH2:38][CH2:37][CH2:36][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 83242BenzenebutanamineHCID 22341388(2-Trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalen-8-yl)methyl 4-methylbenzenesulfonate

Product 1

HCID 9931109(4-Phenyl-butyl)-(2-trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalen-8-ylmethyl)-amine

Sources & evidence

ORD record
ord-b50f31c9cb7046fa9af71d8eff63689d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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