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Hydrochloric Acid → 2-Chloro-4-{2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenylethynyl}-benzoic acid

HRID 169779
Notes
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Reaction equation

HRID 169779 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([Cl:42])[cH:6][c:7]([C:10]#[C:11][c:12]2[c:13]([Cl:41])[cH:14][c:15]([O:19][c:20]3[n:21][cH:22][cH:23][cH:24][c:25]3[C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH:38]4[CH2:39][CH2:40]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]43)[c:16]([Cl:18])[cH:17]2)[cH:8][cH:9]1)=[O:43].[CH3:53][OH:54].[ClH:51].[Li+:49].[OH-:50].[OH2:52]>>[O:2]=[C:3]([c:4]1[c:5]([Cl:42])[cH:6][c:7]([C:10]#[C:11][c:12]2[c:13]([Cl:41])[cH:14][c:15]([O:19][c:20]3[n:21][cH:22][cH:23][cH:24][c:25]3[C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH:38]4[CH2:39][CH2:40]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]43)[c:16]([Cl:18])[cH:17]2)[cH:8][cH:9]1)[OH:43]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 592945182-Chloro-4-{2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenylethynyl}-benzoic acid methyl ester

Product 1

HCID 592945422-Chloro-4-{2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenylethynyl}-benzoic acid

Sources & evidence

ORD record
ord-64206a9430cf49ed9fa668dabc6501fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes