Hydrochloric Acid → N-(4-(4-(1,2,4-thiadiazol-5-ylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1y1)pyrimidin-2-ylthio)phenyl)-3,3,3-trifluoropropanamide

HRID 118554Notes

Reaction equation

HRID 118554 reaction equation
[CH:30]1([C:33]2([F:37])[CH2:34][NH:35][CH2:36]2)[CH2:31][CH2:32]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:29].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[s:1]1[n:2][cH:3][n:4][c:5]1[NH:6][c:7]1[n:8][c:9]([S:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22]([CH2:23][C:24]([F:25])([F:26])[F:27])=[O:28])[cH:19][cH:20]2)[n:10][c:11]([Cl:13])[cH:12]1>>[s:1]1[n:2][cH:3][n:4][c:5]1[NH:6][c:7]1[n:8][c:9]([S:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22]([CH2:23][C:24]([F:25])([F:26])[F:27])=[O:28])[cH:19][cH:20]2)[n:10][c:11]([N:35]2[CH2:34][C:33]([CH:30]3[CH2:31][CH2:32]3)([F:37])[CH2:36]2)[cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 576749343-Cyclopropyl-3-fluoroazetidineHCID 59450317N-(4-(4-(1,2,4-thiadiazol-5-ylamino)-6-chloropyrimidin-2-ylthio)phenyl)-3,3,3-trifluoropropanamide

Product 1

HCID 25052722N-(4-(4-(1,2,4-thiadiazol-5-ylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1y1)pyrimidin-2-ylthio)phenyl)-3,3,3-trifluoropropanamide

Sources & evidence

ORD record
ord-78d2db9b41814072bfd906e276e51b86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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