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

HRID 149787Notes

Reaction equation

HRID 149787 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH3:42][CH2:43][OH:44].[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]([CH3:27])[c:16]4[c:17]3[n:18][c:19]([S:25][CH3:26])[n:20]([CH2:23][CH3:24])[c:21]4=[O:22])[cH:28][cH:29]2)[cH:30][cH:31]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]([CH3:27])[c:16]4[c:17]3[n:18][cH:19][n:20]([CH2:23][CH3:24])[c:21]4=[O:22])[cH:28][cH:29]2)[cH:30][cH:31]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 80711,2-DimethoxyethaneHCID 18918993HCID 18918993, compound

Product 1

HCID 699617347-[4-(4-Chlorobenzoyl)benzyl]-3-ethyl-5-methyl-7H-pyrrolo [2,3-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-c62ea745f0824af98f0454f0d78da821
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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