Acetic Acid → 7-[4-(4-Chlorobenzoyl)benzyl]-3,5-dimethyl-7H-pyrrolo [2,3-d]pyrimidin-4(3H)-one

HRID 2129100Notes

Reaction equation

HRID 2129100 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:41][CH2:42][OH:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][c:15]([CH3:26])[c:16]4[c:17]3[n:18][c:19]([S:24][CH3:25])[n:20]([CH3:23])[c:21]4=[O:22])[cH:27][cH:28]2)[cH:29][cH:30]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][c:15]([CH3:26])[c:16]4[c:17]3[n:18][cH:19][n:20]([CH3:23])[c:21]4=[O:22])[cH:27][cH:28]2)[cH:29][cH:30]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 80711,2-DimethoxyethaneHCID 18919182HCID 18919182, compound

Product 1

HCID 699613567-[4-(4-Chlorobenzoyl)benzyl]-3,5-dimethyl-7H-pyrrolo [2,3-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-22f5324dcdb34d0da3abe02004815200
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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