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Sodium Ion → 2-(ethoxymethyl)-1-({1-[2-(methylsulfonyl)ethoxy]cyclobutyl}methyl)-1H-imidazo[4,5-c]quinoline

HRID 154906
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반응식

HRID 154906 반응식
[CH2:18]([CH3:19])[O:20][CH2:21][c:22]1[n:23]([CH2:35][C:36]2([OH:40])[CH2:37][CH2:38][CH2:39]2)[c:24]2[c:25]([cH:26][n:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)[n:34]1.[CH:12](=[CH2:13])[S:14](=[O:15])(=[O:16])[CH3:17].[H-:41].[N:1]12[CH2:2][CH2:3][CH2:4][N:5]=[C:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2.[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[CH2:12]([CH2:13][O:40][C:36]1([CH2:35][n:23]2[c:22]([CH2:21][O:20][CH2:18][CH3:19])[n:34][c:25]3[c:24]2[c:33]2[c:28]([n:27][cH:26]3)[cH:29][cH:30][cH:31][cH:32]2)[CH2:37][CH2:38][CH2:39]1)[S:14](=[O:15])(=[O:16])[CH3:17]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 19354Methyl vinyl sulfoneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 166653HydrideHCID 575153931-{[2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]methyl}cyclobutanol

생성물 1

HCID 672036362-(ethoxymethyl)-1-({1-[2-(methylsulfonyl)ethoxy]cyclobutyl}methyl)-1H-imidazo[4,5-c]quinoline

출처 및 근거

ORD 기록
ord-5ae9269e3abc463eaf102731e07c2cb7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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