Hydrochloric Acid → 4-(4-Fluoro-3-trifluoromethyl-benzoyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

HRID 1542332Notes

Reaction equation

HRID 1542332 reaction equation
[CH2:43]([Cl:44])[Cl:45].[CH3:2][O:3][c:4]1[c:5]2[c:6]([n:7][cH:8][n:9]1)[s:10][c:11]([NH:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1)[n:12]2.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[ClH:1].[F:22][c:23]1[c:24]([C:31]([F:32])([F:33])[F:34])[cH:25][c:26]([CH2:27][Cl:28])[cH:29][cH:30]1.[OH2:42]>>[CH3:2][O:3][c:4]1[c:5]2[c:6]([n:7][cH:8][n:9]1)[s:10][c:11]([NH:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([C:27]([c:26]3[cH:25][c:24]([C:31]([F:32])([F:33])[F:34])[c:23]([F:22])[cH:30][cH:29]3)=[O:42])[CH2:20][CH2:21]1)[n:12]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27591684-(Chloromethyl)-1-fluoro-2-(trifluoromethyl)benzeneHCID 59011970N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperazine-1-carboxamide

Product 1

HCID 248317244-(4-Fluoro-3-trifluoromethyl-benzoyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

Sources & evidence

ORD record
ord-53598f705c1345d28ee0c4a7ae824602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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