Hydrochloric Acid → N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-(4-iodo-6-oxopyridazin-1-yl)-4-methylpentanamide

HRID 109084Notes

Reaction equation

HRID 109084 reaction equation
[CH3:1][C:2]1([CH3:14])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH2:13])[cH:11][cH:12]2)[O:6]1.[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:31].[I:15][c:16]1[cH:17][n:18][n:19]([CH:23]([C:24](=[O:25])[OH:26])[CH2:27][CH:28]([CH3:29])[CH3:30])[c:20](=[O:22])[cH:21]1>>[CH3:1][C:2]1([CH3:14])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:24]([CH:23]([n:19]3[n:18][cH:17][c:16]([I:15])[cH:21][c:20]3=[O:22])[CH2:27][CH:28]([CH3:29])[CH3:30])=[O:25])[cH:11][cH:12]2)[O:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 579191601-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamineHCID 579193122-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid

Product 1

HCID 178445157N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-(4-iodo-6-oxopyridazin-1-yl)-4-methylpentanamide

Sources & evidence

ORD record
ord-084cbb1667fe4909b1a8e51ae1f16b0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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