Hydrochloric Acid → N-(4-(4-(4H-1,2,4-Triazol-3-ylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

HRID 1233186Notes

Reaction equation

HRID 1233186 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH:28]1([C:31]2([F:35])[CH2:32][NH:33][CH2:34]2)[CH2:29][CH2:30]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:27].[n:1]1[nH:2][c:3]([NH:6][c:7]2[n:8][c:9]([S:14][c:15]3[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]4[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:10][c:11]([Cl:13])[cH:12]2)[n:4][cH:5]1>>[n:1]1[n:2][c:3]([NH:6][c:7]2[n:8][c:9]([S:14][c:15]3[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]4[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:10][c:11]([N:33]3[CH2:32][C:31]([CH:28]4[CH2:29][CH2:30]4)([F:35])[CH2:34]3)[cH:12]2)[nH:4][cH:5]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 576749343-Cyclopropyl-3-fluoroazetidineHCID 86644547N-(4-(4-(2H-1,2,4-Triazol-3-ylamino)-6-chloropyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

Product 1

HCID 178522270N-(4-(4-(4H-1,2,4-Triazol-3-ylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-48e7049cb1aa4b6685b38b0371757eb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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