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Sodium Ion → 1-Cyclohexylcarbonyl-3-[1-(2-[1,4-benzodioxan-2-yl]-2-hydroxyethyl)piperid-4-yl]urea

HRID 148699
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HRID 148699 반응식
[BH4-:50].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH:1]1([C:7](=[O:8])[NH:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][C:20](=[O:21])[CH:22]3[CH2:23][O:24][c:25]4[c:26]([cH:28][cH:29][cH:30][cH:31]4)[O:27]3)[CH2:17][CH2:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:32]1([C:33]([NH:34][C:35]([NH:36][CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)=[O:43])=[O:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[Na+:51].[Na+:65].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH-:64]>>[CH:1]1([C:7](=[O:8])[NH:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][CH:20]([OH:21])[CH:22]3[CH2:23][O:24][c:25]4[c:26]([cH:28][cH:29][cH:30][cH:31]4)[O:27]3)[CH2:17][CH2:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 961HydroxideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 28123BorohydrideHCID 233290701-Cyclohexylcarbonyl-3-(piperid-4-yl)ureaHCID 233290721-Cyclohexylcarbonyl-3-[1-(2-[1,4-benzodioxan-2-yl]-2-oxoethyl)piperid-4-yl]urea

생성물 1

HCID 233290761-Cyclohexylcarbonyl-3-[1-(2-[1,4-benzodioxan-2-yl]-2-hydroxyethyl)piperid-4-yl]urea

출처 및 근거

ORD 기록
ord-5eaa46cb5fd14fdca28e02690bc5e508
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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