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Sodium Ion → CID 20574217

HRID 303918
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HRID 303918 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][CH:21]3[C:22]2([CH3:25])[CH2:23][CH2:24]1.[CH3:29][C:30]([O:31][C:32](=[O:33])[CH3:34])=[O:35].[CH:65]([Cl:66])([Cl:67])[Cl:68].[F-:44].[F:36][C:37]([F:38])([F:39])[C:40]([O-:41])=[O:42].[F:46].[F:60][C:61]([Cl:62])([Cl:63])[Cl:64].[Na+:43].[Na+:45].[Na+:52].[Na+:53].[S:47]([O-:48])([O-:49])(=[O:50])=[S:51].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][C:21]3([F:36])[C:22]2([CH3:25])[CH2:23][CH2:24]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 923Sodium Ion4회HCID 1049PyridineHCID 1084Thiosulfate ionHCID 6212ChloroformHCID 6389TrichlorofluoromethaneHCID 7918Acetic AnhydrideHCID 14917Hydrofluoric AcidHCID 28179Fluoride Ion
HCID 84468Trifluoroacetate
HCID 178475307CID 20574245

생성물 1

HCID 178475340CID 20574217

출처 및 근거

ORD 기록
ord-eaa8d15167a24d1ea01fef242faafa76
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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