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1,4-Dioxane → methyl 3-cyclohexyl-1-methyl-2-(2-{2-[methyl(2-{2-[methyl(sulfamoyl)amino]ethoxy}ethyl)amino]-2-oxoethoxy}phenyl)-1H-indole-6-carboxylate

HRID 152087
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HRID 152087 반응식
[CH:1]1([c:7]2[c:8](-[c:21]3[c:22]([O:27][CH2:28][C:29](=[O:30])[N:31]([CH2:32][CH2:33][O:34][CH2:35][CH2:36][NH:37][CH3:38])[CH3:39])[cH:23][cH:24][cH:25][cH:26]3)[n:9]([CH3:20])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:40][S:41]([NH2:42])(=[O:43])=[O:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[CH:1]1([c:7]2[c:8](-[c:21]3[c:22]([O:27][CH2:28][C:29](=[O:30])[N:31]([CH2:32][CH2:33][O:34][CH2:35][CH2:36][N:37]([CH3:38])[S:41]([NH2:40])(=[O:43])=[O:44])[CH3:39])[cH:23][cH:24][cH:25][cH:26]3)[n:9]([CH3:20])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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반응물 3

HCID 312751,4-DioxaneHCID 82267SulfamideHCID 67226641methyl 3-cyclohexyl-1-methyl-2-{2-[2-(methyl {2-[2-(methylamino)ethoxy]ethyl}amino)-2-oxoethoxy]phenyl}-1H-indole-6-carboxylate

생성물 1

HCID 58317822methyl 3-cyclohexyl-1-methyl-2-(2-{2-[methyl(2-{2-[methyl(sulfamoyl)amino]ethoxy}ethyl)amino]-2-oxoethoxy}phenyl)-1H-indole-6-carboxylate

출처 및 근거

ORD 기록
ord-694438a9a3dc48a6bca10e93a22e8b29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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