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Dimethylamine → N-[2-({4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl}sulfonyl)ethyl]-N,N-dimethylamine

HRID 312857
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인쇄 미리보기

반응식

HRID 312857 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:38][NH:39][CH3:40].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH:29]=[CH2:30])[CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[F:37]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH2:29][CH2:30][N:39]([CH3:38])[CH3:40])[CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[F:37]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 674DimethylamineHCID 8028TetrahydrofuranHCID 469174972-(difluoromethyl)-4-methoxy-1-{4-(4-morpholinyl)-6-[4-(vinylsulfonyl)-1-piperazinyl]-1,3,5-triazin-2-yl}-1H-benzimidazole

생성물 1

HCID 46917573N-[2-({4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl}sulfonyl)ethyl]-N,N-dimethylamine

출처 및 근거

ORD 기록
ord-533ee3415a4b42459d606eb2edba9ea2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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