Acetonitrile → 4-[2-Methoxy-1-(3-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

HRID 666828Notes

Reaction equation

HRID 666828 reaction equation
[CH3:58][C:59]#[N:60].[CH3:8][O:9][CH2:10][CH:11]([c:12]1[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]1)[N:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[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].[c:37]1([O:43][C:44](=[O:38])[NH:45][c:46]2[s:47][c:48]3[n:49][cH:50][n:51][c:52]([O:55][CH3:56])[c:53]3[n:54]2)[cH:39][cH:40][cH:41][cH:42][cH:57]1>>[CH3:8][O:9][CH2:10][CH:11]([c:12]1[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]1)[N:22]1[CH2:23][CH2:24][N:25]([C:44](=[O:43])[NH:45][c:46]2[s:47][c:48]3[n:49][cH:50][n:51][c:52]([O:55][CH3:56])[c:53]3[n:54]2)[CH2:26][CH2:27]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 59011944(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-carbamic acid phenyl esterHCID 590119821-[2-Methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine

Product 1

HCID 248306114-[2-Methoxy-1-(3-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

Sources & evidence

ORD record
ord-d1eaedce11ea477f9a6d92e9efe45d1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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