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Hydrochloric Acid → 3-[4-Cyano-3-nitrophenyl]-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

HRID 309538
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HRID 309538 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH:33]#[N:34].[ClH:32].[F:10][c:11]1[c:12]([N+:29](=[O:30])[O-:31])[cH:13][c:14](-[n:17]2[c:18](=[O:28])[nH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:15][cH:16]1.[K+:5].[K+:6].[K:7][C:8]#[N:9].[OH2:40]>>[C:8](#[N:9])[c:11]1[c:12]([N+:29](=[O:30])[O-:31])[cH:13][c:14](-[n:17]2[c:18](=[O:28])[nH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 768Hydrogen CyanideHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 153346693-[4-Fluoro-3-nitrophenyl]-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneHCID 178511842HCID 178511842, 화합물

출처 및 근거

ORD 기록
ord-5378522d5ea244c1b307b103bb042fb9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 153346703-[4-Cyano-3-nitrophenyl]-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione