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Toluene → [5-Methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]-[4-(1-methylpiperidin-4-yl)naphthalen-1-yl]methanone

HRID 668340
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인쇄 미리보기

반응식

HRID 668340 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[N:12]1[CH2:13][CH:14]([CH3:20])[N:15]([CH3:19])[CH:16]([CH3:18])[CH2:17]1)[NH:8][CH2:7][CH2:6]2.[CH3:21][Al:22]([CH3:23])[CH3:24].[CH3:25][N:26]1[CH2:27][CH2:28][CH:29]([c:32]2[cH:33][cH:34][c:35]([C:42](=[O:43])[O:44][CH3:45])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[CH2:30][CH2:31]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[N:12]1[CH2:13][CH:14]([CH3:20])[N:15]([CH3:19])[CH:16]([CH3:18])[CH2:17]1)[N:8]([C:42]([c:35]1[cH:34][cH:33][c:32]([CH:29]3[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]3)[c:41]3[c:36]1[cH:37][cH:38][cH:39][cH:40]3)=[O:43])[CH2:7][CH2:6]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 219483585-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydro-1H-indoleHCID 22711881Methyl 4-(1-methylpiperidin-4-yl)-1-naphthoate

생성물 1

HCID 22711843[5-Methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]-[4-(1-methylpiperidin-4-yl)naphthalen-1-yl]methanone

출처 및 근거

ORD 기록
ord-e41546fde7334186a99b8ba5c06fab5e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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