Hydrochloric Acid → Hydrochloric Acid

HRID 667080

반응식

HRID 667080 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([C:23](=[O:24])[N:25]2[CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33][CH2:34]2)[c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][c:18]12)([CH3:5])([CH3:6])[CH3:35].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[ClH:36]>>[ClH:36].[NH2:7][CH2:8][c:9]1[n:10][cH:11][c:12]([C:23](=[O:24])[N:25]2[CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33][CH2:34]2)[c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][c:18]12

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 59341087[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric AcidHCID 46847057(1-Aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone

출처 및 근거

ORD 기록
ord-bdf0f09eadc44c8096c82b5244cde91e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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