5-Chloro-p-xylene-2-sulphonyl chloride → N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-4-chloro-2,5-dimethyl-benzenesulfonamide

HRID 318455Notes

Reaction equation

HRID 318455 reaction equation
[Cl:32][c:33]1[cH:34][c:35]([CH3:44])[c:36]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:37][c:38]1[CH3:39].[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>>[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:36]1[c:35]([CH3:44])[cH:34][c:33]([Cl:32])[c:38]([CH3:39])[cH:37]1)(=[O:41])=[O:42]

Participants

3

Reactant 2

HCID 666185-Chloro-p-xylene-2-sulphonyl chlorideHCID 218917201-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione

Product 1

HCID 10009101N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-4-chloro-2,5-dimethyl-benzenesulfonamide

Sources & evidence

ORD record
ord-5749fcdcdb49455f93779d51db38ec57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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