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Hydrochloric Acid → 6-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-1-(1-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylic acid

HRID 2159055
Notes
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Reaction equation

HRID 2159055 reaction equation
[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:32]2[s:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[n:36]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:31])[c:16]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:17][n:18]([CH:22]([CH2:23][OH:24])[CH3:25])[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:41].[CH3:50][OH:51].[ClH:44].[Li+:42].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:43].[OH2:52]>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:32]2[s:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[n:36]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:31])[c:16]([C:26](=[O:27])[OH:28])[cH:17][n:18]([CH:22]([CH2:23][OH:24])[CH3:25])[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:41]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium CationHCID 72278109Ethyl 6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-1-(1-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylate

Product 1

HCID 684711886-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-1-(1-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-48729c33d1194fc3b1538b5a5482dae9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes