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Methanol → N-[[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]methyl]-4-methyl-thiadiazole-5-carboxamide

HRID 159185
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HRID 159185 반응식
[CH3:30][c:31]1[n:32][n:33][s:34][c:35]1[C:36](=[O:37])[OH:38].[CH3:68][OH:69].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[NH2:1][CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:36]([c:35]1[c:31]([CH3:30])[n:32][n:33][s:34]1)=[O:37]
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참가 물질

8

반응물 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 13819924-Methyl-1,2,3-thiadiazole-5-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 59451392
3-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile

생성물 1

HCID 59451554N-[[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]methyl]-4-methyl-thiadiazole-5-carboxamide

출처 및 근거

ORD 기록
ord-9d69fa9c30e44aea96df13623f47cb2c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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