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

HRID 115573

반응식

HRID 115573 반응식
[CH3:32][O:33][c:34]1[c:35]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]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:42]([c:35]1[c:34]([O:33][CH3:32])[cH:39][cH:38][c:37]([O:40][CH3:41])[cH:36]1)(=[O:43])=[O:44]

참가 물질

3

반응물 2

HCID 1370252,5-Dimethoxybenzenesulfonyl chlorideHCID 218917201-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione

생성물 1

HCID 10100428N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2,5-dimethoxy-benzenesulfonamide

출처 및 근거

ORD 기록
ord-70f870fdc1d4454ab88fb270f30d8bbf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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