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Hydrochloric Acid → Doramapimod

HRID 813797
Notes
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Reaction equation

HRID 813797 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([O:31][CH2:32][CH2:33][c:34]3[cH:35][cH:36][n:37][cH:38][cH:39]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:57][C:58]#[N:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:41][CH2:42][CH2:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[ClH:40].[ClH:56].[K+:54].[K+:55].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[OH2:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([O:31][CH2:32][CH2:33][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-Dioxane
HCID 76727
4-(2-Chloroethyl)morpholine
HCID 102297503-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-4-yl)ethoxy]naphthalen-1-yl}urea

Product 1

HCID 156422Doramapimod

Sources & evidence

ORD record
ord-f2ed6bd4bafd416aaac753e03f2b8355
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes