5-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydro-1H-indole → Tert-butyl 4-[4-[5-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindole-1-carbonyl]naphthalen-1-yl]piperidine-1-carboxylate

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:24](=[O:25])[OH:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1.[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:35]([cH:36][c:37]1[N:38]1[CH2:39][CH:40]([CH3:46])[N:41]([CH3:45])[CH:42]([CH3:44])[CH2:43]1)[NH:34][CH2:33][CH2:32]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:24](=[O:25])[N:34]3[CH2:33][CH2:32][c:31]4[cH:30][c:29]([O:28][CH3:27])[c:37]([N:38]5[CH2:39][CH:40]([CH3:46])[N:41]([CH3:45])[CH:42]([CH3:44])[CH2:43]5)[cH:36][c:35]43)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 219483585-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydro-1H-indole

HCID 227118424-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-1-naphthoic acid

생성물 1

HCID 22711887Tert-butyl 4-[4-[5-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindole-1-carbonyl]naphthalen-1-yl]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-43877d056832433494cd4cdbb7962f36
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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