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Dimethylformamide → 2-Chloro-N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-6-fluorobenzamide

HRID 2309998
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HRID 2309998 반응식
[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1.[Cl:45][c:46]1[cH:47][cH:48][c:49]([O:59][CH2:60][c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:50]([CH2:52][n:53]2[n:54][c:55]([NH2:58])[cH:56][cH:57]2)[cH:51]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:58][c:55]2[n:54][n:53]([CH2:52][c:50]3[c:49]([O:59][CH2:60][c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:48][cH:47][c:46]([Cl:45])[cH:51]3)[cH:57][cH:56]2)[c:7]([F:11])[cH:8][cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 679472-Chloro-6-fluorobenzoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 578755491-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-amine

생성물 1

HCID 595479542-Chloro-N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-6-fluorobenzamide

출처 및 근거

ORD 기록
ord-bfccd8adbd0b4d14a0895b003e7bff65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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