2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride → N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2,4-dichloro-5-methyl-benzenesulfonamide

HRID 153671

반응식

HRID 153671 반응식
[Cl:32][c:33]1[c:34]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:35][c:36]([CH3:40])[c:37]([Cl:39])[cH:38]1.[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:41]([c:34]1[c:33]([Cl:32])[cH:38][c:37]([Cl:39])[c:36]([CH3:40])[cH:35]1)(=[O:42])=[O:43]

참가 물질

3

반응물 2

HCID 1199142,4-Dichloro-5-methylbenzene-1-sulphonyl chlorideHCID 218917201-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione

생성물 1

HCID 58762846N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2,4-dichloro-5-methyl-benzenesulfonamide

출처 및 근거

ORD 기록
ord-65650ea4fcea49c29e5348ca6a7c27e6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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