Tetrahydrofuran → N-[[4-chloro-3-(1-methylsulfonylpyrrolidin-3-yl)oxyphenyl]methyl]-1-(3-chlorophenyl)ethanamine

HRID 195003Notes

Reaction equation

HRID 195003 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:53][S:54](=[O:55])(=[O:56])[N:57]1[CH2:58][CH:59]([OH:62])[CH2:60][CH2:61]1.[Cl:1][c:2]1[c:3]([OH:19])[cH:4][c:5]([CH2:8][NH:9][CH:10]([CH3:11])[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[cH:6][cH:7]1.[O:39]=[C:40]([O:41][CH:42]([CH3:43])[CH3:44])[N:45]=[N:46][C:47]([O:48][CH:49]([CH3:50])[CH3:51])=[O:52].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:1][c:2]1[c:3]([O:19][CH:59]2[CH2:58][N:57]([S:54]([CH3:53])(=[O:55])=[O:56])[CH2:61][CH2:60]2)[cH:4][c:5]([CH2:8][NH:9][CH:10]([CH3:11])[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 207458431-Methanesulfonylpyrrolidin-3-olHCID 692756132-Chloro-5-[[1-(3-chlorophenyl)ethylamino]methyl]phenol

Product 1

HCID 74372705N-[[4-chloro-3-(1-methylsulfonylpyrrolidin-3-yl)oxyphenyl]methyl]-1-(3-chlorophenyl)ethanamine

Sources & evidence

ORD record
ord-21e22fe55f5b4f65a49cb463ccfc4fcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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