N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamide → 3-Azido-N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-5-fluoro-4-methyl-benzamide

HRID 1114132

반응식

HRID 1114132 반응식
[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([F:14])[c:12]1[CH3:13].[N:33]([c:34]1[cH:35][c:36]([C:41]([NH:42][c:43]2[cH:44][c:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:50][c:51]([NH:52][S:53]([CH3:54])(=[O:55])=[O:56])[c:57]2[O:58][CH3:59])=[O:60])[cH:37][cH:38][c:39]1[CH3:40])=[N+:61]=[N-:62].[NH2:15][c:16]1[c:17]([O:31][CH3:32])[c:18]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:15][c:16]2[c:17]([O:31][CH3:32])[c:18]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]2)[cH:10][c:11]([F:14])[c:12]1[CH3:13]

참가 물질

4

반응물 3

HCID 10214710N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamideHCID 210792023-azido-N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-benzamideHCID 58784912HCID 58784912, 화합물

생성물 1

HCID 179730683-Azido-N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-5-fluoro-4-methyl-benzamide

출처 및 근거

ORD 기록
ord-91e59bb94d7b4a1dad7f6980fe74f2be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

불러오는 중…