Potassium Cation → 4-[(3-Chloro-2-fluoro-phenyl)amino]-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

HRID 1568112Notes

Reaction equation

HRID 1568112 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:23][S:24]([O:25][CH:28]1[CH2:29][CH2:30][CH:31]([N:34]2[CH2:35][C:36](=[O:41])[N:37]([CH3:40])[CH2:38][CH2:39]2)[CH2:32][CH2:33]1)(=[O:26])=[O:27].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[Cl:1][c:2]1[c:3]([F:22])[c:4]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:20][CH3:21])[c:16]([OH:19])[cH:17][c:18]23)[cH:5][cH:6][cH:7]1.[K+:46].[K+:47]>>[Cl:1][c:2]1[c:3]([F:22])[c:4]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:20][CH3:21])[c:16]([O:19][CH:28]4[CH2:29][CH2:30][CH:31]([N:34]5[CH2:35][C:36](=[O:41])[N:37]([CH3:40])[CH2:38][CH2:39]5)[CH2:32][CH2:33]4)[cH:17][c:18]23)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 44632515(cis)-1-Methanesulphonyloxy-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexaneHCID 574768684-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-ol

Product 1

HCID 249996754-[(3-Chloro-2-fluoro-phenyl)amino]-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

Sources & evidence

ORD record
ord-7ee57ed1b2d445e796773f25368ffd60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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