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2-{2-[3-cyclohexyl-6-(1H-imidazol-1-ylcarbonyl)-1-methyl-1H-indol-2-yl]phenoxy}-N-methyl-N-(2-{2-[methyl(sulfamoyl)amino]ethoxy}ethyl)acetamide → 2-{2-[3-cyclohexyl-6-(1H-imidazol-1-ylcarbonyl)-1-methyl-1H-indol-2-yl]phenoxy}-N-methyl-N-{4-[methyl(sulfamoyl)amino]butyl}acetamide

HRID 2324794
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HRID 2324794 반응식
[CH:1]1([c:7]2[c:8](-[c:20]3[c:21]([O:26][CH2:27][C:28](=[O:29])[N:30]([CH2:31][CH2:32][CH2:33][CH2:34][N:35]([S:36]([NH2:37])(=[O:38])=[O:39])[CH3:40])[CH3:41])[cH:22][cH:23][cH:24][cH:25]3)[n:9]([CH3:19])[c:10]3[cH:11][c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:42]1([c:43]2[c:44]3[c:45]([cH:46][c:47]([C:48](=[O:49])[n:59]4[cH:60][n:61][cH:62][cH:63]4)[cH:50][cH:51]3)[n:52]([CH3:53])[c:54]2-[c:55]2[cH:56][cH:57][cH:58][cH:64][c:65]2[O:66][CH2:67][C:68]([N:69]([CH3:70])[CH2:71][CH2:72][O:73][CH2:74][CH2:75][N:76]([CH3:77])[S:78](=[O:79])(=[O:80])[NH2:81])=[O:82])[CH2:83][CH2:84][CH2:85][CH2:86][CH2:87]1>>[CH:1]1([c:7]2[c:8](-[c:20]3[c:21]([O:26][CH2:27][C:28](=[O:29])[N:30]([CH2:31][CH2:32][CH2:33][CH2:34][N:35]([S:36]([NH2:37])(=[O:38])=[O:39])[CH3:40])[CH3:41])[cH:22][cH:23][cH:24][cH:25]3)[n:9]([CH3:19])[c:10]3[cH:11][c:12]([C:16](=[O:17])[n:59]4[cH:60][n:61][cH:62][cH:63]4)[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 583178162-{2-[3-cyclohexyl-6-(1H-imidazol-1-ylcarbonyl)-1-methyl-1H-indol-2-yl]phenoxy}-N-methyl-N-(2-{2-[methyl(sulfamoyl)amino]ethoxy}ethyl)acetamideHCID 583178213-cyclohexyl-1-methyl-2-{2-[2-(methyl {4-[methyl(sulfamoyl)amino]butyl}amino)-2-oxoethoxy]phenyl}-1H-indole-6-carboxylic acid

생성물 1

HCID 583178372-{2-[3-cyclohexyl-6-(1H-imidazol-1-ylcarbonyl)-1-methyl-1H-indol-2-yl]phenoxy}-N-methyl-N-{4-[methyl(sulfamoyl)amino]butyl}acetamide

출처 및 근거

ORD 기록
ord-7f746a3633164d73ae44e01e489273b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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