Acetic Acid → Tert-butyl 2-methyl-3-[4-oxo-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

HRID 188386Notes

Reaction equation

HRID 188386 reaction equation
[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH3:17])[CH3:8].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][C:55](=[O:56])[OH:57].[CH:20]([CH3:21])([CH3:22])[c:23]1[n:24][c:25]([CH2:28][CH2:29][c:30]2[cH:31][c:32]3[n:33]([c:34](=[O:40])[c:35]([CH:38]=[O:39])[cH:36][n:37]3)[cH:41][cH:42]2)[s:26][cH:27]1.[H-:18].[Na+:19].[Na+:43].[OH:44][C:45](=[O:46])[O-:47]>>[C:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:17])=[CH:38][c:35]1[c:34](=[O:40])[n:33]2[c:32]([cH:31][c:30]([CH2:29][CH2:28][c:25]3[n:24][c:23]([CH:20]([CH3:21])[CH3:22])[cH:27][s:26]3)[cH:42][cH:41]2)[n:37][cH:36]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 166653HydrideHCID 11644679tert-Butyl 2-(diethoxyphosphoryl)propanoateHCID 220636238-(2-(4-isopropyl-1,3-thiazol-2-yl)-ethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Product 1

HCID 91491531Tert-butyl 2-methyl-3-[4-oxo-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

Sources & evidence

ORD record
ord-0e05cb84980e40139cf7ea34b1949cb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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