Hydrochloric Acid → 1-({[3-(1-cyclohexyl-3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]amino}methyl)cyclohexanol

HRID 312697

반응식

HRID 312697 반응식
[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38]([OH:39])([CH3:40])[CH3:41].[ClH:21].[NH2:22][CH2:23][C:24]1([OH:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1>>[C:1]([CH2:2][CH2:3][NH:22][CH2:23][C:24]1([OH:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1)(=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1

참가 물질

6

출처 및 근거

ORD 기록
ord-e589cd7ddb65468eab0413e0c3e5ce92
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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