Hydrochloric Acid → Hydrochloric Acid

HRID 2349796Notes

Reaction equation

HRID 2349796 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([C:23]([NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)=[O:34])[c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[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]([NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)=[O:34])[c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[c:18]12

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 68614475[6,8-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 468468301-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide

Sources & evidence

ORD record
ord-75529266144c4c77915fafa48e4808f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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