2,6-Dimethylpiperazine → 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-3,5-dimethylpiperazin-1-yl]benzenesulfonamide

HRID 1539113

반응식

HRID 1539113 반응식
[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH2:18])[cH:13][cH:14]2)[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:71][CH:72]1[CH2:73][NH:74][CH2:75][CH:76]([CH3:77])[NH:78]1.[CH:19]1([CH2:29][CH2:30][N:31]2[CH2:32][CH2:33][N:34]([c:35]3[cH:36][cH:37][c:38]([C:39]([NH2:40])=[O:41])[cH:42][cH:43]3)[CH2:44][CH2:45]2)[O:20][CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]21.[Cl:57][CH2:58][CH2:59][CH:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[CH:67]([CH3:68])[CH2:69][O:70]1.[F:46][c:47]1[cH:48][cH:49][c:50]([S:51]([NH2:52])(=[O:53])=[O:54])[cH:55][cH:56]1>>[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH2:18])[cH:13][cH:14]2)[CH2:5][CH:6]([CH3:8])[N:7]1[CH2:30][CH2:29][CH:19]1[O:20][CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]21

참가 물질

6

반응물 5

HCID 660562,6-DimethylpiperazineHCID 1202314-FluorobenzenesulfonamideHCID 10270210(-)-4-[4-[2-(Isochroman-1-yl)ethyl]piperazin-1-yl]benzamideHCID 232888314-(3,5-Dimethylpiperazin-1-yl)benzenesulfonamideHCID 232889381-(2-Chloroethyl)-4-methyl-isochroman

생성물 1

HCID 232888694-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-3,5-dimethylpiperazin-1-yl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-d82edc7d4e784a6eb7464f2e65478f0b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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