Ethylene Glycol → 2-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

HRID 182743Notes

Reaction equation

HRID 182743 reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[n:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[c:18]([NH:20][c:21]3[n:22][nH:23][c:24]([CH3:26])[cH:25]3)[n:19]2)[cH:6][cH:7]1.[OH2:31].[OH2:43].[OH:27][CH2:28][CH2:29][OH:30].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([c:10]3[n:11][c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]4[c:18]([NH:20][c:21]4[n:22][nH:23][c:24]([CH3:26])[cH:25]4)[n:19]3)[O:9][CH2:29][CH2:28][O:27]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 46892243(4-fluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanone

Product 1

HCID 468932582-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

Sources & evidence

ORD record
ord-80f386e38de741a985cd1f5d4810cf72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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