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Ammonium → N-[{(2-{4-[2-ethyl-5-(1-hydroxyethyl)-1H-benzimidazol-1-yl]phenyl}ethyl)amino]carbonyl}-4-methylbenzenesulfonamide

HRID 285263
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HRID 285263 반응식
[BH4-:39].[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[cH:17][cH:18]3)[c:9]([CH2:11][CH3:12])[n:10]2)[cH:35][cH:36]1.[CH3:43][CH2:44][OH:45].[Cl-:41].[NH4+:42].[Na+:38].[Na+:40].[OH-:37].[OH2:46]>>[CH:1]([CH3:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[cH:17][cH:18]3)[c:9]([CH2:11][CH3:12])[n:10]2)[cH:35][cH:36]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 28123BorohydrideHCID 21875662HCID 21875662, 화합물

생성물 1

HCID 21876255N-[{(2-{4-[2-ethyl-5-(1-hydroxyethyl)-1H-benzimidazol-1-yl]phenyl}ethyl)amino]carbonyl}-4-methylbenzenesulfonamide

출처 및 근거

ORD 기록
ord-415a6898f43c49e4840cbdb6a8ee03d6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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