Ethylene Glycol → Hydrochloric Acid

HRID 1129630Notes

Reaction equation

HRID 1129630 reaction equation
[CH2:67]([OH:68])[CH2:69][CH2:70][CH3:71].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:36][c:37]1[c:38]([N:52]2[CH:53]([CH3:62])[c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]3[CH2:60][CH2:61]2)[n:39][c:40]([NH:44][c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[n:41][c:42]1[CH3:43].[CH3:8][CH:9]1[c:10]2[c:11]([cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][NH:18]1.[Cl:19][c:20]1[c:21]([CH3:22])[c:23]([CH3:24])[n:25][c:26]([NH:27][c:28]2[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]2)[n:35]1.[OH:63][CH2:64][CH2:65][OH:66]>>[CH3:36][c:37]1[c:38]([N:52]2[CH:53]([CH3:62])[c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]3[CH2:60][CH2:61]2)[n:39][c:40]([NH:44][c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[n:41][c:42]1[CH3:43].[ClH:19]

Participants

8

Reactant 6

HCID 174Ethylene GlycolHCID 2631-ButanolHCID 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-65daac328b5a46a09e7c4e47bb38de4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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