Pyridine → N-(4-((1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

HRID 96494

Reaction equation

HRID 96494 reaction equation
[Cl:32][c:33]1[c:34]([S:40](=[O:41])(=[O:42])[Cl:43])[c:35]([CH3:39])[n:36][n:37]1[CH3:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:26][CH2:27][CH2:28][CH3:29])[c:11](=[O:25])[n:12]([CH2:17][c:18]4[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]4)[c:13](=[O:16])[c:14]3[nH:15]2)[cH:30][cH:31]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:26][CH2:27][CH2:28][CH3:29])[c:11](=[O:25])[n:12]([CH2:17][c:18]4[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]4)[c:13](=[O:16])[c:14]3[nH:15]2)[cH:30][cH:31]1)[S:40]([c:34]1[c:33]([Cl:32])[n:37]([CH3:38])[n:36][c:35]1[CH3:39])(=[O:41])=[O:42]

Participants

4

Reactant 3

HCID 1049PyridineHCID 27771265-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chlorideHCID 218917201-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione

Product 1

HCID 10438766N-(4-((1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

Sources & evidence

ORD record
ord-762a51f39f354e06976adabc7a7890c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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