Water → 1-[3-[2-(cyclopropylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-5,6-dihydropyrazolo[1,5-b]pyridazin-7(4H)-yl]ethanone

HRID 99905Notes

Reaction equation

HRID 99905 reaction equation
[CH3:27][C:28](=[O:29])[O:30][C:31](=[O:32])[CH3:33].[CH3:34][N:35]([CH3:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[CH:1]1([NH:4][c:5]2[n:6][cH:7][cH:8][c:9](-[c:11]3[c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:13][n:14]4[c:19]3[CH2:18][CH2:17][CH2:16][NH:15]4)[n:10]2)[CH2:2][CH2:3]1.[OH2:49].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH:1]1([NH:4][c:5]2[n:6][cH:7][cH:8][c:9](-[c:11]3[c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:13][n:14]4[c:19]3[CH2:18][CH2:17][CH2:16][N:15]4[C:28]([CH3:27])=[O:29])[n:10]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 7918Acetic AnhydrideHCID 142844-(Dimethylamino)pyridineHCID 68514466N-cyclopropyl-4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazin-3-yl]-2-pyrimidinamine

Product 1

HCID 685137641-[3-[2-(cyclopropylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-5,6-dihydropyrazolo[1,5-b]pyridazin-7(4H)-yl]ethanone

Sources & evidence

ORD record
ord-f8a457928a864a4b829f389801a76c5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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