Hydrochloric Acid → 1-(4-fluoro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)-2-[2-(1-pyrrolidin-1-ylpropan-2-yloxy)phenyl]ethanone

HRID 1542408Notes

Reaction equation

HRID 1542408 reaction equation
[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[Cl:75][CH2:76][Cl:77].[ClH:12].[ClH:54].[N:35]1([CH2:40][CH:41]([CH3:42])[O:43][c:44]2[c:45]([CH2:50][C:51](=[O:52])[OH:53])[cH:46][cH:47][cH:48][cH:49]2)[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:1].[OH:2][c:3]1[c:4]2[n:5][n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1.[c:13]1([C:19]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:20]3[CH2:21][NH:22][CH2:23][CH:24]3[CH:25]([F:28])[CH2:26][CH2:27]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[c:13]1([C:19]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:20]3[CH2:21][N:22]([C:51]([CH2:50][c:45]4[c:44]([O:43][CH:41]([CH2:40][N:35]5[CH2:36][CH2:37][CH2:38][CH2:39]5)[CH3:42])[cH:49][cH:48][cH:47][cH:46]4)=[O:52])[CH2:23][CH:24]3[CH:25]([F:28])[CH2:26][CH2:27]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 224172584-Fluoro-7,7-diphenyl-1,2,3,3a,4,5,6,7a-octahydroisoindoleHCID 54259613{[3-(1-Pyrrolidinyl)-2-propoxy]phenyl}acetic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 193845981-(4-fluoro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)-2-[2-(1-pyrrolidin-1-ylpropan-2-yloxy)phenyl]ethanone

Sources & evidence

ORD record
ord-d2894732fbc049ac916f424f6a7743cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…