Hydrochloric Acid → Hydrochloric Acid

HRID 1237421Notes

Reaction equation

HRID 1237421 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](=[O:24])[N:25]2[CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33]2)[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])[CH3:34].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[ClH:35]>>[ClH:35].[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]2)[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 68612582[4-(1,3-Dihydro-isoindole-2-carbonyl)-6,8-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 46846937[1-(Aminomethyl)-6,8-dimethoxyisoquinolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

Sources & evidence

ORD record
ord-0c278a2eb02644f383f1d8ac162cfdc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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