2-(1,4-Diazepan-1-yl)ethan-1-ol → [2-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazol-4-yl]-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone

반응식

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[c:7]1[cH:8][c:9](-[c:13]2[n:14][c:15]([I:22])[c:16]([C:19](=[O:20])[OH:21])[n:17]2[CH3:18])[cH:10][cH:11][cH:12]1.[N:23]1([CH2:30][CH2:31][OH:32])[CH2:24][CH2:25][NH:26][CH2:27][CH2:28][CH2:29]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[c:7]1[cH:8][c:9](-[c:13]2[n:14][c:15]([I:22])[c:16]([C:19](=[O:21])[N:26]3[CH2:25][CH2:24][N:23]([CH2:30][CH2:31][OH:32])[CH2:29][CH2:28][CH2:27]3)[n:17]2[CH3:18])[cH:10][cH:11][cH:12]1

참가 물질

반응물 2

HCID 27365502-(1,4-Diazepan-1-yl)ethan-1-ol

HCID 671332392-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazole-4-carboxylic acid

생성물 1

HCID 57541158[2-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazol-4-yl]-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone

출처 및 근거

ORD 기록: ord-9eb9f7cbd83c405ebfd161856d0e7bcc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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