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Chloride → 3-((4-(2,2-Dichloro-1,1-difluoroethoxy)-2-methyl-5-nitrophenyl)sulfonyl)-2-propenenitrile

HRID 144458
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HRID 144458 반응식
[CH2:22]=[CH:23][C:24]#[N:25].[CH2:28]([N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH3:34].[CH3:35][C:36]#[N:37].[Cl-:26].[Cl:1][CH:2]([C:3]([O:4][c:5]1[cH:6][c:7]([CH3:18])[c:8]([S:14](=[O:15])(=[O:16])[Cl:17])[cH:9][c:10]1[N+:11](=[O:12])[O-:13])([F:19])[F:20])[Cl:21].[ClH:27]>>[Cl:1][CH:2]([C:3]([O:4][c:5]1[cH:6][c:7]([CH3:18])[c:8]([S:14](=[O:15])(=[O:16])[CH:22]=[CH:23][C:24]#[N:25])[cH:9][c:10]1[N+:11](=[O:12])[O-:13])([F:19])[F:20])[Cl:21]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 7855AcrylonitrileHCID 8471TriethylamineHCID 203252614-(2,2-Dichloro-1,1-difluoroethoxy)-2-methyl-5-nitrobenzenesulfonyl chloride

생성물 1

HCID 543302103-((4-(2,2-Dichloro-1,1-difluoroethoxy)-2-methyl-5-nitrophenyl)sulfonyl)-2-propenenitrile

출처 및 근거

ORD 기록
ord-e17a651a53284ce58c91445611cb4a84
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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