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N-methyl-2-pyrrolidone → 3-Benzyl-3,4-dihydro-4-oxo-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

HRID 185924
Notes
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Reaction equation

HRID 185924 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[n:27]1[cH:28][n:29][c:30]2[cH:31][c:32]([O:39][CH3:40])[c:33]([OH:38])[cH:34][c:35]2[c:36]1=[O:37].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH:6]1[CH2:7][CH2:8][CH:9]([N:12]2[CH2:13][C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2)[CH2:10][CH2:11]1.[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[Cs+:45].[Cs+:46]>>[O:5]([CH:6]1[CH2:7][CH2:8][CH:9]([N:12]2[CH2:13][C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2)[CH2:10][CH2:11]1)[c:33]1[c:32]([O:39][CH3:40])[cH:31][c:30]2[n:29][cH:28][n:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:36](=[O:37])[c:35]2[cH:34]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 167349393-Benzyl-6-hydroxy-7-methoxyquinazolin-4-oneHCID 44632515(cis)-1-Methanesulphonyloxy-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexane

Product 1

HCID 46832192
3-Benzyl-3,4-dihydro-4-oxo-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

Sources & evidence

ORD record
ord-4dbdb76e83bf4917a9015eb3544f5452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes