Methanol → (4-Chlorophenyl)-[4-[4-hydroxy-1-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone

HRID 1151868Notes

Reaction equation

HRID 1151868 reaction equation
[CH2:25]1[CH2:26][CH2:27][C:28]2=[N:33][CH2:32][CH2:31][CH2:30][N:29]2[CH2:34][CH2:35]1.[CH3:22][C:23]#[N:24].[CH3:53][OH:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH:16]3[CH2:17][NH:18][CH2:19][CH:20]3[OH:21])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[Cl:36][c:37]1[n:38][c:39]([C:49]([F:50])([F:51])[F:52])[n:40][c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][c:46]12>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH:16]3[CH2:17][N:18]([c:37]4[n:38][c:39]([C:49]([F:50])([F:51])[F:52])[n:40][c:41]5[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][c:46]45)[CH2:19][CH:20]3[OH:21])[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 341762774-Chloro-6-methoxy-2-(trifluoromethyl)quinazolineHCID 66968375(4-Chloro-phenyl)-[4-(4-hydroxy-pyrrolidin-3-yl)-piperazin-1-yl]-methanone

Product 1

HCID 66967997(4-Chlorophenyl)-[4-[4-hydroxy-1-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-1f36ef5ed58a40c088f1ffd641a77214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…