Propylene Glycol → Hydrochloric Acid

HRID 2335240Notes

Reaction equation

HRID 2335240 reaction equation
[CH2:12]([OH:13])[CH:14]([OH:15])[CH3:16].[CH3:1][CH:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][NH:11]1.[CH3:34][c:35]1[c:36]([N:50]2[CH:51]([CH3:60])[c:52]3[cH:53][cH:54][cH:55][cH:56][c:57]3[CH2:58][CH2:59]2)[n:37][c:38]([NH:42][c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[n:39][c:40]1[CH3:41].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl:17][c:18]1[c:19]([CH3:20])[c:21]([CH3:22])[n:23][c:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]2)[n:33]1>>[CH3:34][c:35]1[c:36]([N:50]2[CH:51]([CH3:60])[c:52]3[cH:53][cH:54][cH:55][cH:56][c:57]3[CH2:58][CH2:59]2)[n:37][c:38]([NH:42][c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[n:39][c:40]1[CH3:41].[ClH:17]

Participants

7

Reactant 5

HCID 1030Propylene GlycolHCID 8471TriethylamineHCID 922141-Methyl-1,2,3,4-tetrahydroisoquinolineHCID 204104RevaprazanHCID 99923764-Chloro-N-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine

Product 2

HCID 313Hydrochloric AcidHCID 204104Revaprazan

Sources & evidence

ORD record
ord-8bcef7172bf0401aba232aaa034943d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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