Hydrochloric Acid → Hydrochloric Acid

HRID 1553683Notes

Reaction equation

HRID 1553683 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][CH2:27][c:28]2[n:29][cH:30][cH:31][cH:32][cH:33]2)[CH3:34])=[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][CH2:27][c:28]2[n:29][cH:30][cH:31][cH:32][cH:33]2)[CH3:34])=[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 68614425(6,7-Dimethoxy-4-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-isoquinolin-1-ylmethyl)-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 46847450HCID 46847450, compound

Sources & evidence

ORD record
ord-37660dc536f54da18cd98e2a91f58c52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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