Pyridine → 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid {4-[1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-amide

HRID 1204184Notes

Reaction equation

HRID 1204184 reaction equation
[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:22][c:23]1[c:24]([S:30](=[O:31])(=[O:32])[Cl:33])[c:25]([CH3:29])[n:26][n:27]1[CH3:28].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH3:19])[c:11](=[O:18])[n:12]([CH3:17])[c:13](=[O:16])[c:14]3[nH:15]2)[cH:20][cH:21]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH3:19])[c:11](=[O:18])[n:12]([CH3:17])[c:13](=[O:16])[c:14]3[nH:15]2)[cH:20][cH:21]1)[S:30]([c:24]1[c:23]([Cl:22])[n:27]([CH3:28])[n:26][c:25]1[CH3:29])(=[O:31])=[O:32]

Participants

5

Reactant 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 2252288-(4-Aminobenzyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneHCID 27771265-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

Product 1

HCID 103449845-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid {4-[1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-amide

Sources & evidence

ORD record
ord-77cf1825488e4a88924893cb4d30d13c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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