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Hydrochloric Acid → 4-(4-Cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

HRID 2146209
Notes
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Reaction equation

HRID 2146209 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[NH:10][C:11](=[S:33])[N:12]([c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[C:13]([CH3:22])=[C:14]2[C:15](=[O:16])[O:17][CH2:18][CH2:19][C:20]#[N:21])[cH:7][cH:8]1.[ClH:51].[N:34]12[CH2:35][CH2:36][CH2:37][N:38]=[C:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[NH:10][C:11](=[S:33])[N:12]([c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[C:13]([CH3:22])=[C:14]2[C:15](=[O:16])[OH:17])[cH:7][cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 866051352-Cyanoethyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Product 1

HCID 577624474-(4-Cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Sources & evidence

ORD record
ord-7348c112126c4bc6aefab9d3a249bb92
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