Ethanol → N-(cyclopropylmethyl)-5-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)pyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxamide

HRID 1554425Notes

Reaction equation

HRID 1554425 reaction equation
[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:24][CH2:25][OH:26].[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[c:8]2[s:9][c:10](-[c:13]3[n:14][c:15]4[n:16]([cH:17][cH:18]3)[n:19][cH:20][c:21]4[CH:22]=[O:23])[cH:11][cH:12]2)[CH2:2][CH2:3]1.[O:27]=[C:28]1[CH2:29][NH:30][C:31](=[O:32])[NH:33]1.[OH2:40]>>[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[c:8]2[s:9][c:10](-[c:13]3[n:14][c:15]4[n:16]([cH:17][cH:18]3)[n:19][cH:20][c:21]4[CH:22]=[C:29]3[C:28](=[O:27])[NH:33][C:31](=[O:32])[NH:30]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8082PiperidineHCID 10006HydantoinHCID 59635511N-(cyclopropylmethyl)-5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxamide

Product 1

HCID 66821089N-(cyclopropylmethyl)-5-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)pyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-ce43dfc454e54b37bb8063b55d8e93e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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