Hydrochloric Acid → Hydrochloric Acid

HRID 317024Notes

Reaction equation

HRID 317024 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([NH:11][c:12]2[cH:13][n:14][c:15]([CH2:26][NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:16]3[c:17]([O:24][CH3:25])[cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]23)[s:9][cH:10]1.[Cl:36][CH2:37][Cl:38].[ClH:35].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([NH:11][c:12]2[cH:13][n:14][c:15]([CH2:26][NH2:27])[c:16]3[c:17]([O:24][CH3:25])[cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]23)[s:9][cH:10]1.[ClH:35]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 593411092-[1-(Tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinolin-4-ylamino]thiazole-4-carboxylic acid ethyl ester

Product 2

HCID 313Hydrochloric AcidHCID 59341079Ethyl 2-[[1-(aminomethyl)-6,8-dimethoxyisoquinolin-4-yl]amino]-1,3-thiazole-4-carboxylate

Sources & evidence

ORD record
ord-d64bd62848f14c4dbd42bb9e3965ff5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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