3-methanesulfonyl-N-methylaniline → tert-butyl N-(4-methoxyphenyl)-N-[1-methyl-5-[methyl-[2-(N-methyl-3-methylsulfonylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]carbamate

HRID 304015노트

반응식

HRID 304015 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([Cl:34])[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35].[CH3:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][c:42]([NH:46][CH3:47])[cH:43][cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([N:46]([c:42]3[cH:41][c:40]([S:37]([CH3:36])(=[O:38])=[O:39])[cH:45][cH:44][cH:43]3)[CH3:47])[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35]

참가 물질

3

반응물 2

HCID 110740933-methanesulfonyl-N-methylanilineHCID 59674233{5-[(2-Chloro-pyrimidin-4-yl)-methyl-amino]-1-methyl-1H-benzoimidazol-2-yl}-(4-methoxy-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 69265216tert-butyl N-(4-methoxyphenyl)-N-[1-methyl-5-[methyl-[2-(N-methyl-3-methylsulfonylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]carbamate

출처 및 근거

ORD 기록
ord-5ff8efc76edc4e739bdb966fdc355c7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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