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Acetic Acid → N-[4-[cyclohexyl(methyl)amino]butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide

HRID 88551
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HRID 88551 반응식
[C:39]([BH3-:40])#[N:41].[CH2:37]=[O:38].[CH3:45][OH:46].[CH3:47][C:48](=[O:49])[OH:50].[CH:1]1([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([CH2:24][c:25]3[n:26]([CH3:30])[cH:27][cH:28][n:29]3)[CH2:31][c:32]3[nH:33][cH:34][cH:35][n:36]3)[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:42].[Na+:44].[OH-:43]>>[CH:1]1([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([CH2:24][c:25]3[n:26]([CH3:30])[cH:27][cH:28][n:29]3)[CH2:31][c:32]3[nH:33][cH:34][cH:35][n:36]3)[cH:20][cH:21]2)[CH3:39])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 58801913N-[4-(cyclohexylamino)butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide

생성물 1

HCID 10346837N-[4-[cyclohexyl(methyl)amino]butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-a70de1ab71284a1e9184988a03b0b583
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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