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Magnesium Cation → 4-chloro-2-(ethoxymethyl)-1-[2-(3-methyl-1-oxa-2,4-diazaspiro[4,4]non-2-en-4-yl)ethyl]-1H-imidazo[4,5-c]quinoline

HRID 1123545
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HRID 1123545 반응식
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH:34]([CH3:35])=[N:36][OH:37].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:18][O:19][CH2:20][CH3:21])[n:14]2[CH2:15][CH2:16][NH2:17].[Cl:38][N:39]1[C:40](=[O:41])[CH2:42][CH2:43][C:44]1=[O:45].[Cl:53][CH2:54][Cl:55].[Mg+2:28].[O-:29][S:30](=[O:31])(=[O:32])[O-:33].[O:22]=[C:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:18][O:19][CH2:20][CH3:21])[n:14]2[CH2:15][CH2:16][N:17]1[C:23]2([O:22][N:36]=[C:34]1[CH3:35])[CH2:24][CH2:25][CH2:26][CH2:27]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 888Magnesium CationHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 7863AldoximeHCID 8452CyclopentanoneHCID 8471TriethylamineHCID 31398Chlorosuccinimide
HCID 86247622
2-(4-chloro-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)ethylamine

생성물 1

HCID 866168874-chloro-2-(ethoxymethyl)-1-[2-(3-methyl-1-oxa-2,4-diazaspiro[4,4]non-2-en-4-yl)ethyl]-1H-imidazo[4,5-c]quinoline

출처 및 근거

ORD 기록
ord-2daba889a77c400dbf8f4c49684bc132
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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