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Water → 4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-N,N-dimethyl-1-piperazinesulfonamide

HRID 96815
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인쇄 미리보기

반응식

HRID 96815 반응식
[CH3:42][N:43]([S:44](=[O:45])(=[O:46])[Cl:47])[CH3:48].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:50][CH2:51][Cl:52].[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][NH:23][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:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[F:32].[OH2:49]>>[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:44]([N:43]([CH3:42])[CH3:48])(=[O:45])=[O:46])[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:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[F:32]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 83372Dimethylsulphamoyl chlorideHCID 666980472-(difluoromethyl)-4-methoxy-1-[4-(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole

생성물 1

HCID 46917504
4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-N,N-dimethyl-1-piperazinesulfonamide

출처 및 근거

ORD 기록
ord-703a443e19d2425caf386fd4be028a2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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