Hydrochloric Acid → Hydrochloric Acid

HRID 136793노트

반응식

HRID 136793 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([CH2:23][C:24]([N:25]([CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[CH3:33])=[O:34])[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]([CH2:23][C:24]([N:25]([CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[CH3:33])=[O:34])[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 68613824{6,7-Dimethoxy-4-[(methyl-pyridin-3-ylmethyl-carbamoyl)-methyl]-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric AcidHCID 468474482-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

출처 및 근거

ORD 기록
ord-fed684ead34f43a7aaa7ad9a7750a1d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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