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Sodium Ion → N-(2-cyclohexylethyl)-4-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]-1,3-thiazol-2-amine

HRID 204954
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HRID 204954 반응식
[Br:32][CH2:33][CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][n:2]1[n:3][n:4][n:5][c:6]1[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[N:14][O:15][CH2:16][c:17]1[n:18][c:19]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[s:20][cH:21]1.[Cl:59][CH2:60][Cl:61].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[H-:31].[Na+:30].[Na+:52].[Na+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][n:2]1[n:3][n:4][n:5][c:6]1[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[N:14][O:15][CH2:16][c:17]1[n:18][c:19]([NH:22][CH2:23][CH2:34][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[s:20][cH:21]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion3회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 15440(2-Bromoethyl)cyclohexaneHCID 19660Carbonate IonHCID 166653Hydride
HCID 86653132
tert-butyl {4-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]-1,3-thiazol-2-yl}carbamate

생성물 1

HCID 86653131N-(2-cyclohexylethyl)-4-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]-1,3-thiazol-2-amine

출처 및 근거

ORD 기록
ord-4a9c139cd33748168fe9670ebaeef664
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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