Acetic Acid → 1,2,3,4-Tetrahydro-6-[hydroxy(1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(1-methylethyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester

HRID 1119574Notes

Reaction equation

HRID 1119574 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][s:8][c:9]2[n:10]([CH:18]([CH3:19])[CH3:20])[c:11](=[O:17])[n:12]([CH3:16])[c:13](=[O:15])[c:14]12.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[C:41]1=[O:42].[CH3:44][CH:45]([N-:46][CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:57][C:58](=[O:59])[OH:60].[Li+:43].[OH2:56].[c:21]1(-[n:27]2[n:28][cH:29][c:30]([CH:32]=[O:33])[cH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH:32]([c:30]2[cH:29][n:28][n:27](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:31]2)[OH:33])[s:8][c:9]2[n:10]([CH:18]([CH3:19])[CH3:20])[c:11](=[O:17])[n:12]([CH3:16])[c:13](=[O:15])[c:14]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 9520891-Phenyl-1H-pyrazole-4-carbaldehydeHCID 5062348DiisopropylamideHCID 16102858Ethyl 1-isopropyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate

Product 1

HCID 693098291,2,3,4-Tetrahydro-6-[hydroxy(1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(1-methylethyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-dbd36f7c29fd4e6e85ba97d01e1a5f6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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