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Hydrochloric Acid → 4-{[({(1-methyl-1H-tetrazol-5-yl)[3-(trifluoromethoxy)phenyl]methylene}amino)oxy]methyl}-1,3-thiazol-2-amine

HRID 2336761
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HRID 2336761 반응식
[C:21](=[O:22])([O-:23])[O-:24].[CH3:38][C:39]#[N:40].[Cl:30][CH2:31][c:32]1[n:33][c:34]([NH2:37])[s:35][cH:36]1.[ClH:29].[Cs+:25].[Cs+:26].[I-:28].[K+:27].[OH:1][N:2]=[C:3]([c:4]1[cH:5][c:6]([O:10][C:11]([F:12])([F:13])[F:14])[cH:7][cH:8][cH:9]1)[c:15]1[n:16][n:17][n:18][n:19]1[CH3:20]>>[O:1]([N:2]=[C:3]([c:4]1[cH:5][c:6]([O:10][C:11]([F:12])([F:13])[F:14])[cH:7][cH:8][cH:9]1)[c:15]1[n:16][n:17][n:18][n:19]1[CH3:20])[CH2:31][c:32]1[n:33][c:34]([NH2:37])[s:35][cH:36]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 732294-Chloromethylthiazol-2-ylamineHCID 104967Cesium cation2회HCID 136337385N-hydroxy-1-(1-methyl-1H-tetrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanimine

출처 및 근거

ORD 기록
ord-1d3678426b0c4f0bb741cb482d0c8c77
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 866564084-{[({(1-methyl-1H-tetrazol-5-yl)[3-(trifluoromethoxy)phenyl]methylene}amino)oxy]methyl}-1,3-thiazol-2-amine