Tetrahydrofuran → 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-[(2,2,2-trifluoroethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

HRID 103155Notes

Reaction equation

HRID 103155 reaction equation
[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[F:57][C:58]([CH2:59][NH:60][CH2:61][c:62]1[cH:63][c:64]2[c:69]([cH:70][cH:71]1)[CH:68]([NH2:72])[CH2:67][CH2:66][CH2:65]2)([F:73])[F:74].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[N:11]1[CH:12]([CH2:20][C:21](=[O:22])[OH:23])[c:13]2[n:14]([cH:17][cH:18][cH:19]2)[CH2:15][CH2:16]1.[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[N:11]1[CH:12]([CH2:20][C:21](=[O:23])[NH:72][CH:68]2[CH2:67][CH2:66][CH2:65][c:64]3[cH:63][c:62]([CH2:61][NH:60][CH2:59][C:58]([F:57])([F:73])[F:74])[cH:71][cH:70][c:69]32)[c:13]2[n:14]([cH:17][cH:18][cH:19]2)[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59486400HCID 59486400, compoundHCID 723054186-[(2,2,2-Trifluoroethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

Product 1

HCID 752505772-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-[(2,2,2-trifluoroethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Sources & evidence

ORD record
ord-838f69f184cc4278a1127c9b9d73ea57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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