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Water → 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 2122970
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반응식

HRID 2122970 반응식
[B:21]([Br:22])([Br:23])[Br:24].[CH2:26]([Cl:27])[Cl:28].[Cl:1][c:2]1[cH:3][c:4]([F:20])[c:5](-[n:10]2[n:11][c:12]([CH3:19])[n:13]([CH:16]([F:17])[F:18])[c:14]2=[O:15])[cH:6][c:7]1[O:8][CH3:9].[OH2:25]>>[Cl:1][c:2]1[cH:3][c:4]([F:20])[c:5](-[n:10]2[n:11][c:12]([CH3:19])[n:13]([CH:16]([F:17])[F:18])[c:14]2=[O:15])[cH:6][c:7]1[OH:8]
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참가 물질

5

반응물 4

HCID 962WaterHCID 6344DichloromethaneHCID 25134Boron tribromideHCID 139618062-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

생성물 1

HCID 137694562-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

출처 및 근거

ORD 기록
ord-f29b5a68ff4947f39c3951500bf7f1a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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