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Potassium Cation → 2-(1-Methylpropylsulphenyl)-4-trifluoromethylbenzonitrile

HRID 287886
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반응식

HRID 287886 반응식
[C:21](=[O:22])([O-:23])[O-:24].[CH3:16][CH:17]([CH2:18][CH3:19])[SH:20].[CH3:28][C:29]#[N:30].[K+:25].[K+:26].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[OH2:27]>>[c:4]1([S:20][CH:17]([CH3:16])[CH2:18][CH3:19])[c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 105602-ButanethiolHCID 19660Carbonate IonHCID 699022-Nitro-4-(trifluoromethyl)benzonitrile

생성물 1

HCID 543393872-(1-Methylpropylsulphenyl)-4-trifluoromethylbenzonitrile

출처 및 근거

ORD 기록
ord-a84b5b0bd6de49a7a14275667de00477
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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