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Hydrochloric Acid → N-(4-chlorophenyl)-N-[2-methyl-1-[4-(3-piperazin-1-ylpropoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide

HRID 1230501
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HRID 1230501 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:48].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1
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반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 68920769tert-butyl 4-[3-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]piperazine-1-carboxylate

생성물 1

HCID 68924969N-(4-chlorophenyl)-N-[2-methyl-1-[4-(3-piperazin-1-ylpropoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide

출처 및 근거

ORD 기록
ord-6d7fbc8709544c508112296c39d9163a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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