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Ammonium → {[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}methyl acetate

HRID 162637
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HRID 162637 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][S:6][c:7]1[c:8]([F:26])[cH:9][c:10](-[c:14]2[c:15](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:16][o:17][c:18]2[CH3:19])[cH:11][c:12]1[F:13].[C:33]([O:34][O-:35])(=[O:36])[c:37]1[c:38]([C:43]([O-:44])=[O:45])[cH:39][cH:40][cH:41][cH:42]1.[CH3:50][OH:51].[Cl-:48].[Cl:52][CH2:53][Cl:54].[Mg+2:46].[NH4+:49].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:47]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][S:6]([c:7]1[c:8]([F:26])[cH:9][c:10](-[c:14]2[c:15](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:16][o:17][c:18]2[CH3:19])[cH:11][c:12]1[F:13])(=[O:27])=[O:28]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 888Magnesium CationHCID 962Water7회HCID 6344DichloromethaneHCID 22746414{[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]thio}methyl acetate
HCID 71440607
2-Oxidooxycarbonylbenzoate

생성물 1

HCID 22745761{[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}methyl acetate

출처 및 근거

ORD 기록
ord-50363d2726624e95a707d0497228fd34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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