Hexahydro-2-benzimidazolinone → 1-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)octahydro-2H-benzimidazol-2-one

반응식

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

참가 물질

반응물 2

HCID 101982Hexahydro-2-benzimidazolinone

HCID 574443555-{4-[2-(3-Iodophenyl)ethyl]-1-piperazinyl)2-methylquinoline

생성물 1

HCID 574783841-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)octahydro-2H-benzimidazol-2-one

출처 및 근거

ORD 기록: ord-38ca3802d86b43299f0d68b5f7804f9f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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