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Sodium Ion → 2-{4-[4-(4-Methoxy-benzylamino)-3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl]-phenyl}-2-methyl-propionitrile

HRID 2310182
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HRID 2310182 반응식
[C:38]([O-:39])([CH3:40])([CH3:41])[CH3:42].[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][NH2:51])[cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:28]3[cH:29][n:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[cH:37]3)[cH:8][c:9]2[c:10]2[c:11]1[n:12]([CH3:27])[c:13](=[O:26])[n:14]2-[c:15]1[cH:16][cH:17][c:18]([C:21]([C:22]#[N:23])([CH3:24])[CH3:25])[cH:19][cH:20]1.[Na+:43]>>[c:2]1([NH:51][CH2:50][c:49]2[cH:48][cH:47][c:46]([O:45][CH3:44])[cH:53][cH:52]2)[n:3][c:4]2[cH:5][cH:6][c:7](-[c:28]3[cH:29][n:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[cH:37]3)[cH:8][c:9]2[c:10]2[c:11]1[n:12]([CH3:27])[c:13](=[O:26])[n:14]2-[c:15]1[cH:16][cH:17][c:18]([C:21]([C:22]#[N:23])([CH3:24])[CH3:25])[cH:19][cH:20]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 1140TolueneHCID 754524-MethoxybenzylamineHCID 45749132-Methylpropan-2-olateHCID 536303582-[4-(4-Chloro-3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-2-methyl-propionitrile

생성물 1

HCID 53630357
2-{4-[4-(4-Methoxy-benzylamino)-3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl]-phenyl}-2-methyl-propionitrile

출처 및 근거

ORD 기록
ord-baf22d6e0ef34820941185ca7c1fd254
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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