Methanol → (4-Chlorophenyl)-[4-[4-hydroxy-1-(6-methoxyquinazolin-4-yl)pyrrolidin-3-yl]piperazin-1-yl]methanone

HRID 699651Notes

Reaction equation

HRID 699651 reaction equation
[CH2:22]1[CH2:23][CH2:24][C:25]2=[N:30][CH2:29][CH2:28][CH2:27][N:26]2[CH2:31][CH2:32]1.[CH3:60][OH:61].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[CH3:68][C:69]#[N:70].[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:33][c:34]1[n:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][c:43]12.[Cl:46][c:47]1[c:48]2[c:49]([cH:50][cH:51][c:52]([O:53][CH3:54])[cH:55]2)[n:56][c:57]([CH3:58])[n:59]1>>[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:34]4[n:35][cH:36][n:37][c:38]5[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][c:43]45)[CH2:19][CH:20]3[OH:21])[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 111831744-Chloro-6-methoxyquinazolineHCID 122776024-Chloro-6-methoxy-2-methylquinazolineHCID 66968375(4-Chloro-phenyl)-[4-(4-hydroxy-pyrrolidin-3-yl)-piperazin-1-yl]-methanone

Product 1

HCID 66968369(4-Chlorophenyl)-[4-[4-hydroxy-1-(6-methoxyquinazolin-4-yl)pyrrolidin-3-yl]piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-7d5987a78f364d0cb01b6ae8efa65dfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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