1-Butanol → HCID 178493087, compound

HRID 118662Notes

Reaction equation

HRID 118662 reaction equation
[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:17][c:18]1[c:19]([NH:34][c:35]2[n:36][nH:37][c:38]([O:40][CH:41]([CH3:42])[CH3:43])[cH:39]2)[n:20][c:21]([NH:24][CH:25]([CH3:26])[c:27]2[n:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:22][cH:23]1.[Cl:1][c:2]1[n:3][c:4]([NH:5][c:6]2[cH:7][c:8]([O:9][CH3:10])[nH:11][n:12]2)[c:13]([Cl:14])[cH:15][n:16]1>>[Cl:17][c:18]1[c:19]([NH:34][c:35]2[n:36][nH:37][c:38]([O:40][CH3:41])[cH:39]2)[n:20][c:21]([NH:24][CH:25]([CH3:26])[c:27]2[n:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:22][cH:23]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 178458627HCID 178458627, compoundHCID 1784930722,5-dichloro-N-(5-methoxy-1H-pyrazol-3-yl)pyrimidin-4-amine

Product 1

HCID 178493087HCID 178493087, compound

Sources & evidence

ORD record
ord-2731fc9d6c2741718f8194438d5fbab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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