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Hydrochloric Acid → 3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-trifluoromethyl-benzoic acid

HRID 1240201
Notes
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Reaction equation

HRID 1240201 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH3:12])[C:7](=[O:13])[CH2:6][N:5]2[CH:14]([CH3:15])[CH3:16].[ClH:31].[NH2:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[OH2:32]>>[c:2]1([NH:17][c:18]2[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH3:12])[C:7](=[O:13])[CH2:6][N:5]2[CH:14]([CH3:15])[CH3:16]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-DioxaneHCID 6095563-Amino-5-(trifluoromethyl)benzoic acidHCID 584059002-chloro-8-isopropyl-5-methyl-7,8-dihydro-5H-pteridin-6-one

Product 1

HCID 68424217
3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-trifluoromethyl-benzoic acid

Sources & evidence

ORD record
ord-8ef79a95190e45fe9fd557fd8df1f423
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes