Hydrochloric Acid → Hydrochloric Acid

HRID 1226747Notes

Reaction equation

HRID 1226747 reaction equation
[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][CH3:27])[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[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])[CH3:36].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[ClH:37]>>[ClH:37].[NH2:7][CH2:8][c:9]1[n:10][cH:11][c:12]([CH2:23][C:24]([N:25]([CH2:26][CH3:27])[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][c:18]12

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 68612843{4-[(Benzyl-ethyl-carbamoyl)-methyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 46847449HCID 46847449, compound

Sources & evidence

ORD record
ord-b2e73a488cf94e6eae32403591e55a90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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