Potassium Cation → 4-tert-butyl-N-[6-{2-(5-(2-thienyl)pyrimidin-2-yloxy)ethoxy}-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide

HRID 97928

반응식

HRID 97928 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH2:39][CH2:40][CH3:41])[n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([Br:38])[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[F-:66].[K+:67].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[s:42]1[c:43]([Sn:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[cH:44][cH:45][cH:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH2:39][CH2:40][CH3:41])[n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35](-[c:43]4[s:42][cH:46][cH:45][cH:44]4)[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1

참가 물질

7

반응물 6

HCID 813Potassium CationHCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 27793732-(Tri-n-butylstannyl)thiopheneHCID 19689505N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-propyl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide

생성물 1

HCID 196895274-tert-butyl-N-[6-{2-(5-(2-thienyl)pyrimidin-2-yloxy)ethoxy}-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-4523bce5e54047f6aba433ca1ab710d9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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