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Water → 2-({[5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1,3-oxazole

HRID 1565941
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HRID 1565941 반응식
[Br:18][CH2:19][c:20]1[c:21]([C:30]([F:31])([F:32])[F:33])[n:22][n:23]([CH3:29])[c:24]1[O:25][CH:26]([F:27])[F:28].[CH3:35][C:36]#[N:37].[N:7]12[CH2:8][CH2:9][CH2:10][N:11]=[C:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2.[OH2:34].[o:1]1[c:2](=[S:6])[nH:3][cH:4][cH:5]1>>[o:1]1[c:2]([S:6][CH2:19][c:20]2[c:21]([C:30]([F:31])([F:32])[F:33])[n:22][n:23]([CH3:29])[c:24]2[O:25][CH:26]([F:27])[F:28])[n:3][cH:4][cH:5]1
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반응물 5

HCID 962WaterHCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 70592403H-1,3-oxazole-2-thioneHCID 117228384-(bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole

생성물 1

HCID 462224072-({[5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1,3-oxazole

출처 및 근거

ORD 기록
ord-ef24bb337bd54222828f1078a35f5b5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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