Potassium Cation → (3-Chloro-phenyl)-[4-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperazin-1-yl]-acetic acid methyl ester

HRID 2124545Notes

Reaction equation

HRID 2124545 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][O:44][C:45]([CH:46]([c:47]1[cH:48][c:49]([Cl:53])[cH:50][cH:51][cH:52]1)[Br:54])=[O:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][OH:62].[CH3:8][O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[s:16][c:17]([NH:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1)[n:18]2.[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:41].[K+:42]>>[CH3:8][O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[s:16][c:17]([NH:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([CH:46]([C:45]([O:44][CH3:43])=[O:55])[c:47]3[cH:48][c:49]([Cl:53])[cH:50][cH:51][cH:52]3)[CH2:26][CH2:27]1)[n:18]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 19385736Methyl 2-bromo-2-(3-chlorophenyl)acetateHCID 59011970N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperazine-1-carboxamide

Product 1

HCID 24830454(3-Chloro-phenyl)-[4-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperazin-1-yl]-acetic acid methyl ester

Sources & evidence

ORD record
ord-b23f2b1286874072b0eaf37b7ef42133
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…